tert-butyl N-[(1R)-1-[[2-[(2S)-3-[(2S)-2-anilinopropanoyl]-2-carbamoyl-4-nitro-pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]carbamate
[CAS# 94213-45-3]

Identification

• Name: tert-butyl N-[(1R)-1-[[2-[(2S)-3-[(2S)-2-anilinopropanoyl]-2-carbamoyl-4-nitro-pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]carbamate
• Synonyms: N-(tert-butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide
• Molecular Formula: C₂₆H₃₈N₆O₈S
• Molecular Weight: 594.68
• CAS Registry Number: 94213-45-3
• EINECS: 303-749-4
• SMILES: O=[N+]([O-])C1CN(C(=O)CNC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)[C@@H](C1C(=O)[C@H](C)Nc2ccccc2)C(N)=O
• InChI: 1S/C26H38N6O8S/c1-15(29-16-9-7-6-8-10-16)22(34)20-18(32(38)39)14-31(21(20)23(27)35)19(33)13-28-24(36)17(11-12-41-5)30-25(37)40-26(2,3)4/h6-10,15,17-18,20-21,29H,11-14H2,1-5H3,(H2,27,35)(H,28,36)(H,30,37)/t15-,17+,18?,20?,21-/m0/s1
• InChIKey: YMVGLXATRAAAQF-DXWGYPPOSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 921.025°C at 760 mmHg (Cal.)
• Flash point: 510.818°C (Cal.)