N-Carbobenzoxy-L-tryptophyl-L-methionyl-L-aspartyl-L-phenylalaninamide
[CAS# 2283-80-9]

Identification

• Name: N-Carbobenzoxy-L-tryptophyl-L-methionyl-L-aspartyl-L-phenylalaninamide
• Synonyms: (3S)-4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[(2S)-2-[[(2S)-3-(1H-Indol-3-Yl)-2-(Phenylmethoxycarbonylamino)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[(2S)-2-[[(2S)-3-(1H-Indol-3-Yl)-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Propyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-(Benzyloxycarbonylamino)-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₇H₄₂N₆O₈S
• Molecular Weight: 730.83
• CAS Registry Number: 2283-80-9
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)OCC1=CC=CC=C1)CC2=C[NH]C3=CC=CC=C23)=O)CCSC)=O)CC(=O)O)=O)CC4=CC=CC=C4
• InChI: 1S/C37H42N6O8S/c1-52-17-16-28(34(47)42-31(20-32(44)45)36(49)41-29(33(38)46)18-23-10-4-2-5-11-23)40-35(48)30(19-25-21-39-27-15-9-8-14-26(25)27)43-37(50)51-22-24-12-6-3-7-13-24/h2-15,21,28-31,39H,16-20,22H2,1H3,(H2,38,46)(H,40,48)(H,41,49)(H,42,47)(H,43,50)(H,44,45)/t28-,29-,30-,31-/m0/s1
• InChIKey: DLOHHVQNOMRHQK-ORYMTKCHSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 1159.169°C at 760 mmHg (Cal.)
• Flash point: 654.842°C (Cal.)