L-alpha-Aspartyl-L-Seryl-L-Phenylalanyl-L-Valyl-beta-Alanyl-L-Leucyl-L-Methioninamide
[CAS# 122063-01-8]

Identification

• Name: L-alpha-Aspartyl-L-Seryl-L-Phenylalanyl-L-Valyl-beta-Alanyl-L-Leucyl-L-Methioninamide
• Synonyms: (3S)-3-Amino-4-[[(1S)-2-[[2-[[(1S)-1-[[3-[[1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-3-Oxo-Propyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-Amino-4-[[(1S)-2-[[2-[[(1S)-1-[[[3-[[1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-3-Oxopropyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-Amino-4-[[(1S)-2-[[1-(Benzyl)-2-[[(1S)-1-[[3-[[1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-3-Keto-Propyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₅H₅₆N₈O₁₀S
• Molecular Weight: 780.94
• CAS Registry Number: 122063-01-8
• SMILES: [C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CO)CC1=CC=CC=C1)(C(=O)NCCC(=O)NC(C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)C(C)C
• InChI: 1S/C35H56N8O10S/c1-19(2)15-24(32(50)40-23(30(37)48)12-14-54-5)39-27(45)11-13-38-35(53)29(20(3)4)43-33(51)25(16-21-9-7-6-8-10-21)41-34(52)26(18-44)42-31(49)22(36)17-28(46)47/h6-10,19-20,22-26,29,44H,11-18,36H2,1-5H3,(H2,37,48)(H,38,53)(H,39,45)(H,40,50)(H,41,52)(H,42,49)(H,43,51)(H,46,47)/t22-,23-,24?,25?,26-,29-/m0/s1
• InChIKey: CKNPSJOMUQBPLA-FMGAJUQSSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 1236.07°C at 760 mmHg (Cal.)
• Flash point: 701.35°C (Cal.)