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

L-Isolecucine 7-amido-4- methylcoumarin trifluoroacetate salt
Cas Number: 191723-68-9 Compound CID: 24802239

Formula: C₁₈H₂₁F₃N₂O₅ Molecular Weight: 402.36

IUPAC Name: (2S,3S)-2-amino-3-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide;2,2,2-trifluoroacetic acid

SMILES: CCC(C)C(C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)N.C(=O)(C(F)(F)F)O

InChIKey: XPPJTDCCTDQORL-UXZWUECBSA-N

InChI: InChI=1S/C16H20N2O3.C2HF3O2/c1-4-9(2)15(17)16(20)18-11-5-6-12-10(3)7-14(19)21-13(12)8-11;3-2(4,5)1(6)7/h5-9,15H,4,17H2,1-3H3,(H,18,20);(H,6,7)/t9-,15-show more

Synonyms: HY-D1534 | L-Isoleucine 7-amido-4-methylcoumarin trifluoroacetate salt | Rhodium, [(1,2,5,6-eta)-1,5-cyclooctadiene](...

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L-allo-Isoleucine
- ≥98%
Cas Number: 1509-34-8 EC Number: 216-142-3

Formula: C₆H₁₃NO₂ Molecular Weight: 131.17

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

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

InChIKey: AGPKZVBTJJNPAG-UHNVWZDZSA-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+/m1/s1

Synonyms: G22N65IL3O | Tox21_112304 | (+/-)-ALLO-ISOLEUCINE | [S-(R*,S*)]-2-Amino-3-methylpentanoic acid | CHEBI:43433 | Pentan...
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Methyl (2S,3S)-2-Isocyanato-3-methylvalerate
- ≥98%
Cas Number: 120219-17-2

Formula: C₈H₁₃NO₃ Molecular Weight: 171.2

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

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

InChIKey: OLHBZFKROSWSCI-BQBZGAKWSA-N

InChI: InChI=1S/C8H13NO3/c1-4-6(2)7(9-5-10)8(11)12-3/h6-7H,4H2,1-3H3/t6-,7-/m0/s1

Synonyms: AKOS015850921 | SCHEMBL4607090 | AKOS006237429 | J-004279 | Pentanoic acid,2-isocyanato-3-methyl-,methyl ester,(2S,3S...
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L-Isoleucine
- ≥98.5%
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: H-Ile-OH | FEMA No. 3295 | HSDB 7798 | L-Norvaline, 3-methyl-, erythro- | bmse000884 | EINECS 200-798-2 | (L)-Isoleuc...
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L-Isoleucine methyl ester hydrochloride
- ≥98%
Cas Number: 18598-74-8 EC Number: 242-437-1

Formula: C₇H₁₅NO₂•HCl Molecular Weight: 181.66

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

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

InChIKey: GGTBEWGOPAFTTH-GEMLJDPKSA-N

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

Synonyms: (2R,3S)-methyl 2-amino-3-methylpentanoate hydrochloride | L-Isoleucine methyl ester hydrochloride, >=98.0% (AT) | GGT...
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Boc-D-allo-Ile-OH
- ≥98%
Cas Number: 55780-90-0

Formula: C₁₁H₂₁NO₄ Molecular Weight: 231.3

IUPAC Name: (2R,3S)-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-JGVFFNPUSA-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+/m0/s1

Synonyms: A846490 | EINECS 236-074-8 | Isoleucine, N-carboxy-, N-tert-butyl ester, L- | AM81863 | AS-49220 | (2R,3S)-2-{[(tert-...
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N-Methyl-L-isoleucine
- ≥98%
Cas Number: 4125-98-8

Formula: C₇H₁₅NO₂ Molecular Weight: 145.2

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

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

InChIKey: KSPIYJQBLVDRRI-WDSKDSINSA-N

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

Synonyms: N-Methylisoleucine | H-L-MeIle-OH | (2S,3S)-3-methyl-2-(methylamino)pentanoic acid
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Ac-Ile-OMe
- ≥95%
Cas Number: 2256-76-0

Formula: C₉H₁₇NO₃ Molecular Weight: 187.24

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

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

InChIKey: JPQWQTHLAKUOOA-XPUUQOCRSA-N

InChI: InChI=1S/C9H17NO3/c1-5-6(2)8(9(12)13-4)10-7(3)11/h6,8H,5H2,1-4H3,(H,10,11)/t6-,8-/m0/s1

Synonyms: L-Isoleucine, N-acetyl-, methyl ester, erythro- | Isoleucine, N-acetyl-, methyl ester, L- | N-ACETYL-ISOLEUCINE METHY...
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L-Isoleucine allyl ester p-toluenesulfonate salt
- ≥98%
Cas Number: 88224-05-9 Compound CID: 45382243

Formula: C₁₆H₂₅NO₅S Molecular Weight: 343.44

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

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

InChIKey: KLSHVPHGOQRRIE-WSZWBAFRSA-N

InChI: InChI=1S/C9H17NO2.C7H8O3S/c1-4-6-12-9(11)8(10)7(3)5-2;1-6-2-4-7(5-3-6)11(8,9)10/h4,7-8H,1,5-6,10H2,2-3H3;2-5H,1H3,(H,8,9,10)/t7-,8-;/m0./s1

Synonyms: H-Ile-OAll·TosOH
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Boc-Ile-OSU
- ≥98%(HPLC)
Cas Number: 3392-08-3 EC Number: 222-231-8

Formula: C₁₅H₂₄N₂O₆ Molecular Weight: 328.36

IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

SMILES: CCC(C)C(C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C

InChIKey: FATJLEZSGFVHQA-CABZTGNLSA-N

InChI: InChI=1S/C15H24N2O6/c1-6-9(2)12(16-14(21)22-15(3,4)5)13(20)23-17-10(18)7-8-11(17)19/h9,12H,6-8H2,1-5H3,(H,16,21)/t9-,12-/m0/s1

Synonyms: Boc-Ile-OSu|3392-08-3|Boc-L-isoleucine N-hydroxysuccinimide ester|Boc-L-isoleucine hydroxysuccinimide ester|(2,5-diox...
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Boc-Ile-ONp
- ≥97%
Cas Number: 16948-38-2

Formula: C₁₇H₂₄N₂O₆ Molecular Weight: 352.38

IUPAC Name: (4-nitrophenyl) (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

SMILES: CCC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChIKey: RFSVHANJROIWPM-FZMZJTMJSA-N

InChI: InChI=1S/C17H24N2O6/c1-6-11(2)14(18-16(21)25-17(3,4)5)15(20)24-13-9-7-12(8-10-13)19(22)23/h7-11,14H,6H2,1-5H3,(H,18,21)/t11-,14-/m0/s1

Synonyms: J-010547 | (2S,3S)-4-nitrophenyl 2-(tert-butoxycarbonylamino)-3-methylpentanoate | N-alpha-t-Butyloxycarbonyl-L-isole...
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Boc-Ile-OH
- ≥99%
Cas Number: 13139-16-7 EC Number: 236-074-8

Formula: C₁₁H₂₁NO₄ Molecular Weight: 231.06

IUPAC Name: (2S,3S)-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-YUMQZZPRSA-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-/m0/s1

Synonyms: (2S,3S)-2-(tert-butoxycarbonyl-amino)-3-methyl-valeric acid | Boc-Ile | t-butyloxycarbonylisoleucine | (2S,3S)-2-(ter...
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