(2S,6S)-6-Amino-2-[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Methylbutanoyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]-2-(Disulfidoamino)-7-(4-Hydroxyphenyl)-3-Methyl-5-Oxoheptanoic Acid
[CAS# 151608-23-0]

Identification

• Name: (2S,6S)-6-Amino-2-[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Methylbutanoyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]-2-(Disulfidoamino)-7-(4-Hydroxyphenyl)-3-Methyl-5-Oxoheptanoic Acid
• Synonyms: (2S,6S)-6-Amino-2-[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]-2-(Disulfidoamino)-7-(4-Hydroxyphenyl)-3-Methyl-5-Oxo-Heptanoic Acid; (2S,6S)-6-Amino-2-[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Methyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]-2-(Disulfidoamino)-7-(4-Hydroxyphenyl)-3-Methyl-5-Oxoheptanoic Acid; (2S,6S)-6-Amino-2-[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]-2-(Disulfidoamino)-7-(4-Hydroxyphenyl)-5-Keto-3-Methyl-Enanthic Acid
• Molecular Formula: C₃₁H₄₁N₅O₇S₂
• Molecular Weight: 659.81
• CAS Registry Number: 151608-23-0
• SMILES: [C@](C(=O)O)(N([S-])[S-])(C(CC([C@@H](N)CC1=CC=C(O)C=C1)=O)C)C([C@@H](NC([C@@H](NC([C@H](N)C(C)C)=O)C)=O)CC2=CC=CC=C2)=O
• InChI: 1S/C31H41N5O7S2/c1-17(2)26(33)29(41)34-19(4)28(40)35-24(16-20-8-6-5-7-9-20)27(39)31(30(42)43,36(44)45)18(3)14-25(38)23(32)15-21-10-12-22(37)13-11-21/h5-13,17-19,23-24,26,37H,14-16,32-33H2,1-4H3,(H,34,41)(H,35,40)(H,42,43)/q-2/t18?,19-,23-,24-,26+,31-/m0/s1
• InChIKey: GEMNCLQIETXWPM-ALLOXMOUSA-N