(4-Nitrophenyl) N-[1-[(2S)-1-[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]-2,5-Dioxocyclopentyl]-N-Propan-2-Ylcarbamate
[CAS# 144597-19-3]

Identification

• Name: (4-Nitrophenyl) N-[1-[(2S)-1-[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]-2,5-Dioxocyclopentyl]-N-Propan-2-Ylcarbamate
• Synonyms: (4-Nitrophenyl) N-[1-[(2S)-1-[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]-2,5-Dioxo-Cyclopentyl]-N-Isopropyl-Carbamate; N-[1-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]-2,5-Dioxocyclopentyl]-N-Isopropylcarbamic Acid (4-Nitrophenyl) Ester; N-[1-[(2S)-1-[(2S)-2-(Alanylamino)Propanoyl]Pyrrolidine-2-Carbonyl]-2,5-Diketo-Cyclopentyl]-N-Isopropyl-Carbamic Acid (4-Nitrophenyl) Ester
• Molecular Formula: C₂₆H₃₃N₅O₉
• Molecular Weight: 559.57
• CAS Registry Number: 144597-19-3
• SMILES: [C@@H]1(N(C(=O)[C@@H](NC(=O)[C@@H](N)C)C)CCC1)C(=O)C3(N(C(OC2=CC=C([N+]([O-])=O)C=C2)=O)C(C)C)C(=O)CCC3=O
• InChI: 1S/C26H33N5O9/c1-14(2)30(25(37)40-18-9-7-17(8-10-18)31(38)39)26(20(32)11-12-21(26)33)22(34)19-6-5-13-29(19)24(36)16(4)28-23(35)15(3)27/h7-10,14-16,19H,5-6,11-13,27H2,1-4H3,(H,28,35)/t15-,16-,19-/m0/s1
• InChIKey: DMPXNIKPTPJOGJ-BXWFABGCSA-N

Properties

• Density: 1.388g/cm³ (Cal.)
• Boiling point: 823.944°C at 760 mmHg (Cal.)
• Flash point: 452.105°C (Cal.)