(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-2-[[(2S)-4-Methyl-2-Methylaminopentanoyl]Amino]-4-Methylsulfanylbutanoyl]Amino]-2-Oxoethyl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-5-Oxopyrrolidine-2-Carboxamide
[CAS# 77160-86-2]

Identification

• Name: (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-2-[[(2S)-4-Methyl-2-Methylaminopentanoyl]Amino]-4-Methylsulfanylbutanoyl]Amino]-2-Oxoethyl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-5-Oxopyrrolidine-2-Carboxamide
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-2-[[2-[[(2S)-2-[[(2S)-4-Methyl-2-Methylamino-Pentanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-5-Oxo-Pyrrolidine-2-Carboxamide; (2S)-N-[(1S)-2-[[(1S)-2-[[2-[[(2S)-2-[[(2S)-4-Methyl-2-Methylamino-1-Oxopentyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-5-Oxo-2-Pyrrolidinecarboxamide; (2S)-N-[(1S)-1-(Benzyl)-2-[[(1S)-1-(Benzyl)-2-Keto-2-[[2-Keto-2-[[(2S)-2-[[(2S)-4-Methyl-2-Methylamino-Pentanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]Ethyl]Amino]Ethyl]Amino]-2-Keto-Ethyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₃₇H₅₁N₇O₇S
• Molecular Weight: 737.91
• CAS Registry Number: 77160-86-2
• SMILES: [C@@H](NC(=O)[C@H]1NC(=O)CC1)(C(=O)N[C@H](C(=O)NCC(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC)CC(C)C)CCSC)CC2=CC=CC=C2)CC3=CC=CC=C3
• InChI: 1S/C37H51N7O7S/c1-23(2)19-28(38-3)36(50)41-27(17-18-52-4)35(49)44-32(46)22-39-33(47)29(20-24-11-7-5-8-12-24)42-37(51)30(21-25-13-9-6-10-14-25)43-34(48)26-15-16-31(45)40-26/h5-14,23,26-30,38H,15-22H2,1-4H3,(H,39,47)(H,40,45)(H,41,50)(H,42,51)(H,43,48)(H,44,46,49)/t26-,27-,28-,29-,30-/m0/s1
• InChIKey: YZNNXTNXIKIONB-IIZANFQQSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 1120.271°C at 760 mmHg (Cal.)
• Flash point: 631.317°C (Cal.)