[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino] Benzoate
[CAS# 157135-53-0]

Identification

• Name: [[(2S)-1-[[(2S)-1-[(2S)-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino] Benzoate
• Synonyms: [[(1S)-2-[[(2S)-1-[(2S)-2-(Tert-Butoxycarbonylamino)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino] Benzoate; Benzoic Acid [[(1S)-2-[[[(2S)-1-[(2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino] Ester; Benzoic Acid [[(1S)-1-(Benzyl)-2-[[(2S)-1-[(2S)-2-(Tert-Butoxycarbonylamino)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-2-Keto-Ethyl]Amino] Ester
• Molecular Formula: C₂₉H₃₆N₄O₇
• Molecular Weight: 552.63
• CAS Registry Number: 157135-53-0
• SMILES: [C@@H]1(N(C(=O)[C@@H](NC(OC(C)(C)C)=O)C)CCC1)C(=O)NC(=O)[C@@H](NOC(=O)C2=CC=CC=C2)CC3=CC=CC=C3
• InChI: 1S/C29H36N4O7/c1-19(30-28(38)39-29(2,3)4)26(36)33-17-11-16-23(33)25(35)31-24(34)22(18-20-12-7-5-8-13-20)32-40-27(37)21-14-9-6-10-15-21/h5-10,12-15,19,22-23,32H,11,16-18H2,1-4H3,(H,30,38)(H,31,34,35)/t19-,22-,23-/m0/s1
• InChIKey: VOZJHWQXGBWDNZ-VJBMBRPKSA-N

Properties

• Density: 1.241g/cm³ (Cal.)