Methyl 1-{(2S,3S)-3-[(N-acetyl-L-seryl-L-leucyl-L-asparaginyl)amino]-2-hydroxy-4-phenylbutyl}-L-prolyl-L-isoleucyl-L-valinate
[CAS# 127231-42-9]

Identification

• Name: Methyl 1-{(2S,3S)-3-[(N-acetyl-L-seryl-L-leucyl-L-asparaginyl)amino]-2-hydroxy-4-phenylbutyl}-L-prolyl-L-isoleucyl-L-valinate
• Synonyms: Methyl (2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Hydroxy-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Amino-4-Oxo-Butanoyl]Amino]-2-Hydroxy-4-Phenyl-Butyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoate; (2S)-2-[[(2S,3S)-2-[[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Hydroxy-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-4-Amino-1,4-Dioxobutyl]Amino]-2-Hydroxy-4-Phenylbutyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-Methylbutanoic Acid Methyl Ester; (2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Hydroxy-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Amino-4-Keto-Butanoyl]Amino]-2-Hydroxy-4-Phenyl-Butyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Methyl-Butyric Acid Methyl Ester
• Molecular Formula: C₄₂H₆₈N₈O₁₁
• Molecular Weight: 861.05
• CAS Registry Number: 127231-42-9
• SMILES: [C@@H]1(N(CCC1)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CO)CC(C)C)CC(=O)N)CC2=CC=CC=C2)C(=O)N[C@H](C(=O)N[C@H](C(OC)=O)C(C)C)[C@H](CC)C
• InChI: 1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28-,29-,30-,31-,32-,33-,35-,36-/m0/s1
• InChIKey: MJOXWVYKMFPFPL-FPBYMMTFSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 1216.536°C at 760 mmHg (Cal.)
• Flash point: 689.536°C (Cal.)