L-alpha-Aspartyl-L-seryl-L-phenylalanyl-L-phenylalanyl-beta-alanyl-L-leucyl-L-methioninamide
[CAS# 132041-94-2]

Identification

• Name: L-alpha-Aspartyl-L-seryl-L-phenylalanyl-L-phenylalanyl-beta-alanyl-L-leucyl-L-methioninamide
• Synonyms: (3S)-3-Amino-4-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[3-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-3-Oxo-Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-Amino-4-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[3-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-3-Oxopropyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-Amino-4-[[(1S)-2-[[(1S)-1-(Benzyl)-2-[[(1S)-1-(Benzyl)-2-[[3-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-3-Keto-Propyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₉H₅₆N₈O₁₀S
• Molecular Weight: 828.98
• CAS Registry Number: 132041-94-2
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC(CCNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC(=O)O)=O)CO)=O)CC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)=O)CC(C)C)=O)CCSC
• InChI: 1S/C39H56N8O10S/c1-23(2)18-28(37(55)44-27(34(41)52)15-17-58-3)43-32(49)14-16-42-36(54)29(19-24-10-6-4-7-11-24)45-38(56)30(20-25-12-8-5-9-13-25)46-39(57)31(22-48)47-35(53)26(40)21-33(50)51/h4-13,23,26-31,48H,14-22,40H2,1-3H3,(H2,41,52)(H,42,54)(H,43,49)(H,44,55)(H,45,56)(H,46,57)(H,47,53)(H,50,51)/t26-,27-,28-,29-,30-,31-/m0/s1
• InChIKey: YASUUTPQYSSIAK-HPMAGDRPSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 1292.709°C at 760 mmHg (Cal.)
• Flash point: 735.604°C (Cal.)