Isoleucine and derivatives

Description:

Compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Ancestors:

Organic compounds ⮕ Organic acids and derivatives ⮕ Carboxylic acids and derivatives ⮕ Amino acids, peptides, and analogues ⮕ Amino acids and derivatives ⮕ Alpha amino acids and derivatives ⮕ Isoleucine and derivatives

(4S)-4-Hydroxy-L-isoleucine
- ≥95%
Cas Number: 55399-93-4

Formula: C₆H₁₃NO₃ Molecular Weight: 147.17

IUPAC Name: (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid

SMILES: CC(C(C)O)C(C(=O)O)N

InChIKey: OSCCDBFHNMXNME-YUPRTTJUSA-N

InChI: InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1

Synonyms: (4S)-4-Hydroxy-L-isoleucine, from fenugreek seed, >=98.0% (TLC) | (2S,3R,4S)-2-Amino-4-hydroxy-3-methylpentanoic acid...
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Methyl 2-amino-3-methylpentanoate
- ≥97%
Cas Number: 2577-46-0

Formula: C₇H₁₅NO₂ Molecular Weight: 145.2

IUPAC Name: methyl (2S,3S)-2-amino-3-methylpentanoate

SMILES: CCC(C)C(C(=O)OC)N

InChIKey: YXMMTUJDQTVJEN-WDSKDSINSA-N

InChI: InChI=1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5-,6-/m0/s1

Synonyms: 2577-46-0|Methyl L-isoleucinate|(2S,3S)-methyl 2-amino-3-methylpentanoate|Isoleucine methyl ester|L-Isoleucine, methy...
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Boc-allo-Ile-OH
- ≥99%
Cas Number: 35264-07-4

Formula: C₁₁H₂₁NO₄ Molecular Weight: 231.29

IUPAC Name: (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

SMILES: CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C

InChIKey: QJCNLJWUIOIMMF-SFYZADRCSA-N

InChI: InChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1

Synonyms: AM81864 | Boc-allo-Ile-OH.nH2O | SCHEMBL3205842 | (2S,3R)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-METHYLPENTANOIC ACID | Boc...
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LM11A 31 Dihydrochloride
- ≥96%
Cas Number: 1243259-19-9 Compound CID: 91654620

Formula: C₁₂H₂₅N₃O₂•2HCl Molecular Weight: 316.27

IUPAC Name: (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride

SMILES: CCC(C)C(C(=O)NCCN1CCOCC1)N.Cl.Cl

InChIKey: LLIHJRRZJDEKLB-ULEGLUPFSA-N

InChI: InChI=1S/C12H25N3O2.2ClH/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H/t10-,11-;;/m0../s1

Synonyms: (2S,3S)-2-Amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamidedihydrochloride | (2S,3S)-2-Amino-3-methyl-N-[2-(4-morph...
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L-Isoleucine-15N
- ≥98 atom% 15N,≥98.5%
Cas Number: 59935-30-7

Formula: C₆H₁₃15NO₂ Molecular Weight: 132.17

IUPAC Name: (2S,3S)-2-(15N)azanyl-3-methylpentanoic acid

SMILES: CCC(C)C(C(=O)O)N

InChIKey: AGPKZVBTJJNPAG-NNXLWEQRSA-N

InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i7+1

Synonyms: MS-22782 | L-Isoleucine-15N, 98 atom % 15N, 98% (CP) | HY-N0771S2 | DTXSID50443307 | (2S,3S)-2-(15N)azanyl-3-methylpe...
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L-Isoleucine t-butyl ester hydrochloride
- ≥97%
Cas Number: 69320-89-4

Formula: C₁₀H₂₁NO₂·HCl Molecular Weight: 223.7

IUPAC Name: tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride

SMILES: CCC(C)C(C(=O)OC(C)(C)C)N.Cl

InChIKey: IFRYMHOZFAPYPJ-WSZWBAFRSA-N

InChI: InChI=1S/C10H21NO2.ClH/c1-6-7(2)8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t7-,8-;/m0./s1

Synonyms: (2S,3S)-TERT-BUTYL 2-AMINO-3-METHYLPENTANOATE HCL | I0685 | MFCD00058015 | AS-31709 | L-Isoleucine tert-butyl ester H...
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L-Isoleucine
- ≥99%
Cas Number: 73-32-5

Formula: C₆H₁₃NO₂ Molecular Weight: 131.18

IUPAC Name: (2S,3S)-2-amino-3-methylpentanoic acid

SMILES: CC[C@H](C)[C@@H](C(=O)O)N

InChIKey: AGPKZVBTJJNPAG-WHFBIAKZSA-N

InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1

Synonyms: alpha-Amino-beta-methylvaleric acid | erythro-L-Isoleucine | H-Ile-OH | 2-Amino-3-methylvaleric acid | (2S,3S)-2-Amin...
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L-Isoleucinamide hydrochloride
- ≥98%
Cas Number: 10466-56-5

Formula: C₆H₁₄N₂O·HCl Molecular Weight: 166.7

IUPAC Name: (2S,3S)-2-amino-3-methylpentanamide;hydrochloride

SMILES: CCC(C)C(C(=O)N)N.Cl

InChIKey: SAOZPTBFWAEJQL-FHAQVOQBSA-N

InChI: InChI=1S/C6H14N2O.ClH/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/t4-,5-;/m0./s1

Synonyms: L-Isoleucinamide--hydrogen chloride (1/1) | MFCD00058476 | L-Isoleucinamide hydrochloride | DTXSID40585189 | (2S,3S)-...
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H-Ile-OBzl tos
- ≥95%
Cas Number: 16652-75-8 Compound CID: 14074464

Formula: C₁₃H₁₉NO₂.C₇H₈O₃S Molecular Weight: 393.5

IUPAC Name: benzyl (2S,3S)-2-amino-3-methylpentanoate;4-methylbenzenesulfonic acid

SMILES: CCC(C)C(C(=O)OCC1=CC=CC=C1)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChIKey: XAWVXTVKSVYPNE-JGAZGGJJSA-N

InChI: InChI=1S/C13H19NO2.C7H8O3S/c1-3-10(2)12(14)13(15)16-9-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,10,12H,3,9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t10-,12show more

Synonyms: Benzyl L-isoleucinate 4-methylbenzenesulfonate | L-Ile-OBzl.TosOH | EINECS 240-701-0 | AKOS015909594 | AKOS015842533 ...
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Fmoc-lle-OH
- ≥99%
Cas Number: 71989-23-6 EC Number: 276-255-9

Formula: C₂₁H₂₃NO₄ Molecular Weight: 353.41

IUPAC Name: (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid

SMILES: CCC(C)C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey: QXVFEIPAZSXRGM-DJJJIMSYSA-N

InChI: InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-show more

Synonyms: EN300-74033 | BRD-K24518485-001-01-0 | fluoren-9-ylmethyl N-(1-carboxy-2-methylbutyl)carbamate | Z1123720061 | N-.alp...
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Boc-L-isoleucine hemihydrate
- ≥98%
Cas Number: 204138-23-8 Compound CID: 45072434

Formula: C11H21NO4*0.5H2O Molecular Weight: 240.07 (231.06anhy)

IUPAC Name: (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate

SMILES: CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C.CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C.O

InChIKey: NYGJSARLXBZKTA-AQHOMMPKSA-N

InChI: InChI=1S/2C11H21NO4.H2O/c2*1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5;/h2*7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t2*7-,8-;/m00./s1

Synonyms: Boc-(2S,3S)-2-amino-3-methylpentanoic acid hemihydrate
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N-Carbobenzoxy-L-isoleucine
- ≥98%(HPLC)
Cas Number: 3160-59-6

Formula: C₁₄H₁₉NO₄ Molecular Weight: 265.31

IUPAC Name: (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid

SMILES: CCC(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChIKey: JSHXJPFZKBRLFU-JQWIXIFHSA-N

InChI: InChI=1S/C14H19NO4/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17)/t10-,12-/m0/s1

Synonyms: (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid | HY-78897 | Nalpha -Benzyloxycarbonyl-L-isoleucine | Q...
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