L-Phenylalanyl-D-asparaginyl-L-a-glutamyl-L-phenylalanyl-L-Valinamide
[CAS# 137182-25-3]

Identification

• Name: L-Phenylalanyl-D-asparaginyl-L-a-glutamyl-L-phenylalanyl-L-Valinamide
• Synonyms: (4S)-4-[[(2R)-4-Amino-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]-4-Oxo-Butanoyl]Amino]-5-[[(1S)-2-[[(1S)-1-Carbamoyl-2-Methyl-Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2R)-4-Amino-2-[[(2S)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]-1,4-Dioxobutyl]Amino]-5-[[(1S)-2-[[(1S)-1-Carbamoyl-2-Methylpropyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2R)-4-Amino-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]-4-Keto-Butanoyl]Amino]-5-[[(1S)-1-(Benzyl)-2-[[(1S)-1-Carbamoyl-2-Methyl-Propyl]Amino]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₃₂H₄₃N₇O₈
• Molecular Weight: 653.73
• CAS Registry Number: 137182-25-3
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](N)CC1=CC=CC=C1)=O)CC(=O)N)=O)CCC(=O)O)=O)CC2=CC=CC=C2)=O)C(C)C
• InChI: 1S/C32H43N7O8/c1-18(2)27(28(35)43)39-32(47)23(16-20-11-7-4-8-12-20)38-30(45)22(13-14-26(41)42)36-31(46)24(17-25(34)40)37-29(44)21(33)15-19-9-5-3-6-10-19/h3-12,18,21-24,27H,13-17,33H2,1-2H3,(H2,34,40)(H2,35,43)(H,36,46)(H,37,44)(H,38,45)(H,39,47)(H,41,42)/t21-,22-,23-,24+,27-/m0/s1
• InChIKey: NNCPNXNWAQSRCG-CPASSRBFSA-N

Properties

• Density: 1.292g/cm³ (Cal.)
• Boiling point: 1151.993°C at 760 mmHg (Cal.)
• Flash point: 650.502°C (Cal.)