(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxy-2,6-Dimethylphenyl)Propanoyl]-[(2S)-2-[[2-[(2S)-2-Amino-3-Methyl-3-Sulfanylbutanoyl]Iminoacetyl]Amino]-3-Phenylpropanoyl]Amino]-3-Methyl-3-Sulfanylbutanoic Acid
[CAS# 137666-07-0]

Identification

• Name: (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxy-2,6-Dimethylphenyl)Propanoyl]-[(2S)-2-[[2-[(2S)-2-Amino-3-Methyl-3-Sulfanylbutanoyl]Iminoacetyl]Amino]-3-Phenylpropanoyl]Amino]-3-Methyl-3-Sulfanylbutanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxy-2,6-Dimethyl-Phenyl)Propanoyl]-[(2S)-2-[[2-[(2S)-2-Amino-3-Methyl-3-Sulfanyl-Butanoyl]Iminoacetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Methyl-3-Sulfanyl-Butanoic Acid; (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxy-2,6-Dimethylphenyl)-1-Oxopropyl]-[(2S)-2-[[2-[(2S)-2-Amino-3-Mercapto-3-Methyl-1-Oxobutyl]Imino-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Mercapto-3-Methylbutanoic Acid; (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxy-2,6-Dimethyl-Phenyl)Propanoyl]-[(2S)-2-[[2-[(2S)-2-Amino-3-Mercapto-3-Methyl-Butanoyl]Iminoacetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Mercapto-3-Methyl-Butyric Acid
• Molecular Formula: C₃₂H₄₃N₅O₇S₂
• Molecular Weight: 673.84
• CAS Registry Number: 137666-07-0
• SMILES: [C@@H](N(C(=O)[C@@H](NC(=O)C=NC(=O)[C@H](N)C(S)(C)C)CC1=CC=CC=C1)C(=O)[C@@H](N)CC2=C(C=C(O)C=C2C)C)(C(S)(C)C)C(=O)O
• InChI: 1S/C32H43N5O7S2/c1-17-12-20(38)13-18(2)21(17)15-22(33)28(41)37(26(30(43)44)32(5,6)46)29(42)23(14-19-10-8-7-9-11-19)36-24(39)16-35-27(40)25(34)31(3,4)45/h7-13,16,22-23,25-26,38,45-46H,14-15,33-34H2,1-6H3,(H,36,39)(H,43,44)/t22-,23-,25-,26-/m0/s1
• InChIKey: XHTYMHDIUZJVOV-LCGRTSHQSA-N

Properties

• Density: 1.329g/cm³ (Cal.)