(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxo-butan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]amino]-2-oxo-ethyl]amino]-3-(4-hydroxyphenyl)-1-oxo-propan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]-5-oxo-pyrrolidine-2-carboxamide
[CAS# 70082-71-2]

Identification

• Name: (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxo-butan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]amino]-2-oxo-ethyl]amino]-3-(4-hydroxyphenyl)-1-oxo-propan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]-5-oxo-pyrrolidine-2-carboxamide
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-5-Oxo-Pyrrolidine-2-Carboxamide; (2S)-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-5-Oxo-2-Pyrrolidinecarboxamide; (2S)-N-[(1S)-1-(Benzyl)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₃₆H₄₉N₇O₈S
• Molecular Weight: 739.89
• CAS Registry Number: 70082-71-2
• SMILES: [C@H]3(C(N[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CCSC)C(=O)N)=O)=O)=O)CC2=CC=CC=C2)=O)NC(CC3)=O
• InChI: 1S/C36H49N7O8S/c1-21(2)17-27(35(50)41-25(32(37)47)15-16-52-3)40-31(46)20-38-33(48)28(19-23-9-11-24(44)12-10-23)42-36(51)29(18-22-7-5-4-6-8-22)43-34(49)26-13-14-30(45)39-26/h4-12,21,25-29,44H,13-20H2,1-3H3,(H2,37,47)(H,38,48)(H,39,45)(H,40,46)(H,41,50)(H,42,51)(H,43,49)/t25-,26-,27-,28-,29-/m0/s1
• InChIKey: FHNPOFAOAWFRRE-ZIUUJSQJSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 1239.489°C at 760 mmHg (Cal.)
• Flash point: 703.417°C (Cal.)