alpha-Methyl-Nalpha-[(4-Nitrophenyl)Carbamoyl]-N-{[1-(2-Pyridinyl)Cyclohexyl]Methyl}-L-Tryptophanamide
[CAS# 204066-82-0]

Identification

• Name: alpha-Methyl-Nalpha-[(4-Nitrophenyl)Carbamoyl]-N-{[1-(2-Pyridinyl)Cyclohexyl]Methyl}-L-Tryptophanamide
• Synonyms: (S)-3-(1H-Indol-3-yl)-2-methyl-2-[3-(4-nitro-phenyl)-ureido]-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide; (S)-a-Methyl-a-[[[(4-nitrophenyl)amino]carbonyl]amino]-N-[[1-(2-pyridinyl)cyclohexyl]methyl]-1H-indole-3-propanamide; [204066-82-0]
• Molecular Formula: C₃₁H₃₄N₆O₄
• Molecular Weight: 554.64
• CAS Registry Number: 204066-82-0
• SMILES: C[C@](CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]
• InChI: 1S/C31H34N6O4/c1-30(19-22-20-33-26-10-4-3-9-25(22)26,36-29(39)35-23-12-14-24(15-13-23)37(40)41)28(38)34-21-31(16-6-2-7-17-31)27-11-5-8-18-32-27/h3-5,8-15,18,20,33H,2,6-7,16-17,19,21H2,1H3,(H,34,38)(H2,35,36,39)/t30-/m0/s1
• InChIKey: AFDXUTWMFMAQJO-PMERELPUSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 819.7±65.0°C at 760 mmHg (Cal.)
• Flash point: 449.5±34.3°C (Cal.)
• Refractive index: 1.661 (Cal.)