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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.
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Items 1-12 of 62

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  1. D-allo-Isoleucine Ethyl Ester Hydrochloride
      Grade & Purity: 
    • ≥97%
    Cas Number: 315700-65-3        Compound CID:  86222804
    Formula:  C8H18ClNO2        Molecular Weight: 195.69
    IUPAC Name:  ethyl (2R,3S)-2-amino-3-methylpentanoate;hydrochloride
    SMILES:  CCC(C)C(C(=O)OCC)N.Cl
    InChIKey: QQGRWNMNWONMOO-UOERWJHTSA-N
    InChI:  InChI=1S/C8H17NO2.ClH/c1-4-6(3)7(9)8(10)11-5-2;/h6-7H,4-5,9H2,1-3H3;1H/t6-,7+;/m0./s1
  2. (±)-Jasmonic Acid-Isoleucine
      Grade & Purity: 
    • ≥98%
    Cas Number: 120330-93-0
    Formula:  C18H29NO4        Molecular Weight: 323.43
    SMILES:  CCC=CCC1C(CCC1=O)CC(=O)NC(C(C)CC)C(=O)O
    InChIKey: IBZYPBGPOGJMBF-QRHMYKSGSA-N
    InChI:  InChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,1show more
  3. (2S,3S)-2-((tert-Butoxycarbonyl)(methyl)amino)-3-methylpentanoic acid
      Grade & Purity: 
    • ≥95%
    Cas Number: 52498-32-5        Compound CID:  7017970
    Formula:  C12H23NO4        Molecular Weight: 245.32
    IUPAC Name:  (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
    SMILES:  CCC(C)C(C(=O)O)N(C)C(=O)OC(C)(C)C
    InChIKey: HTBIAUMDQYXOFG-IUCAKERBSA-N
    InChI:  InChI=1S/C12H23NO4/c1-7-8(2)9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t8-,9-/m0/s1
  4. L-Isoleucine
    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: (2S,3S)-2-Amino-3-methylpentanoic acid | H-Ile-OH
  5. L-Isoleucine Ethyl Ester Hydrochloride
      Grade & Purity: 
    • ≥98%
    Cas Number: 56782-52-6        EC Number: 260-382-1        Compound CID:  6453390
    IUPAC Name:  ethyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride
    SMILES:  CCC(C)C(C(=O)OCC)N.Cl
    InChIKey: QQGRWNMNWONMOO-LEUCUCNGSA-N
    InChI:  InChI=1S/C8H17NO2.ClH/c1-4-6(3)7(9)8(10)11-5-2;/h6-7H,4-5,9H2,1-3H3;1H/t6-,7-;/m0./s1
  6. LM11A-31
    Cas Number: 102562-74-3
    Formula:  C12H25N3O2        Molecular Weight: 243.35
    IUPAC Name:  (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
    SMILES:  CCC(C)C(C(=O)NCCN1CCOCC1)N
    InChIKey: YNMUTYLWSRFTPX-QWRGUYRKSA-N
    InChI:  InChI=1S/C12H25N3O2/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)/t10-,11-/m0/s1
  7. 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methylpentanoicacid
      Grade & Purity: 
    • ≥97%
    Cas Number: 2250198-69-5
    IUPAC Name:  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-UHFFFAOYSA-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)
  8. N-Benzyl-L-isoleucine
      Grade & Purity: 
    • ≥98%
    Cas Number: 1859-49-0        Compound CID:  6994933
    Formula:  C13H19NO2        Molecular Weight: 221.29
    IUPAC Name:  (2S,3S)-2-(benzylamino)-3-methylpentanoic acid
    SMILES:  CCC(C)C(C(=O)O)NCC1=CC=CC=C1
    InChIKey: GPAVORZIWQTJJQ-JQWIXIFHSA-N
    InChI:  InChI=1S/C13H19NO2/c1-3-10(2)12(13(15)16)14-9-11-7-5-4-6-8-11/h4-8,10,12,14H,3,9H2,1-2H3,(H,15,16)/t10-,12-/m0/s1
    Synonyms: N-benzyl-isoleucine | SCHEMBL5658130 | AKOS026357474 | GPAVORZIWQTJJQ-JQWIXIFHSA-N | BZL-ILE-OH | n-benzyl-l-isoleuci...
  9. Fmoc-L-b-methylisoleucine
    Cas Number: 1227750-73-3        Compound CID:  74889162
    Formula:  C22H25NO4        Molecular Weight: 367.44
    IUPAC Name:  (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylpentanoic acid
    SMILES:  CCC(C)(C)C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
    InChIKey: KTFMEQGAIAYJMN-LJQANCHMSA-N
    InChI:  InChI=1S/C22H25NO4/c1-4-22(2,3)19(20(24)25)23-21(26)27-13-18-16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-12,18-19H,4,13H2,1-3H3,(H,23,26)(H,24,25)/t19-show more
  10. (Rac)-LM11A-31 dihydrochloride
      Grade & Purity: 
    • ≥98%
    Cas Number: 1214672-15-7        Compound CID:  43810708
    Formula:  C12H27Cl2N3O2        Molecular Weight: 316.27
    IUPAC Name:  2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride
    SMILES:  CCC(C)C(C(=O)NCCN1CCOCC1)N.Cl.Cl
    InChIKey: LLIHJRRZJDEKLB-UHFFFAOYSA-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
  11. Z-Ile-Leu-aldehyde
      Grade & Purity: 
    • ≥96%
    Cas Number: 161710-10-7        Compound CID:  44366908
    Formula:  C20H30N2O4        Molecular Weight: 362.46
    IUPAC Name:  benzyl N-[(2S,3S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
    SMILES:  CCC(C)C(C(=O)NC(CC(C)C)C=O)NC(=O)OCC1=CC=CC=C1
    InChIKey: WJQLUFQGNVGLKR-SZMVWBNQSA-N
    InChI:  InChI=1S/C20H30N2O4/c1-5-15(4)18(19(24)21-17(12-23)11-14(2)3)22-20(25)26-13-16-9-7-6-8-10-16/h6-10,12,14-15,17-18H,5,11,13H2,1-4H3,(H,21,24)(H,22,25)/show more
  12. 4-Hydroxy Isoleucine
      Grade & Purity: 
    • ≥95%
    Cas Number: 781658-23-9
    Formula:  C6H13NO3        Molecular Weight: 147.17
    IUPAC Name:  (2S,3R)-2-amino-4-hydroxy-3-methylpentanoic acid
    SMILES:  CC(C(C)O)C(C(=O)O)N
    InChIKey: OSCCDBFHNMXNME-DSDZBIDZSA-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: 4-?Hydroxy-?L-?isoleucine | 4-HYDROXY-L-ISOLEUCINE | (2S,3R)-2-amino-4-hydroxy-3-methylpentanoic acid | CCG-266183 | ...
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