N-{[(2-Methyl-2-propanyl)oxy]carbonyl}glycyl-3-[(2S)-2-anilinopropanoyl]-4-nitro-L-prolinamide
[CAS# 88331-08-2]

Identification

• Name: N-{[(2-Methyl-2-propanyl)oxy]carbonyl}glycyl-3-[(2S)-2-anilinopropanoyl]-4-nitro-L-prolinamide
• Synonyms: N-(tert-butoxycarbonyl)glycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide
• Molecular Formula: C₂₁H₂₉N₅O₇
• Molecular Weight: 463.48
• CAS Registry Number: 88331-08-2
• EINECS: 289-404-8
• SMILES: O=[N+]([O-])C1CN(C(=O)CNC(=O)OC(C)(C)C)[C@@H](C1C(=O)[C@H](C)Nc2ccccc2)C(N)=O
• InChI: 1S/C21H29N5O7/c1-12(24-13-8-6-5-7-9-13)18(28)16-14(26(31)32)11-25(17(16)19(22)29)15(27)10-23-20(30)33-21(2,3)4/h5-9,12,14,16-17,24H,10-11H2,1-4H3,(H2,22,29)(H,23,30)/t12-,14?,16?,17-/m0/s1
• InChIKey: PVILUSKMXISZKF-XNPDXQRHSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 764.018°C at 760 mmHg (Cal.)
• Flash point: 415.863°C (Cal.)