N-{[1-(5-Methoxy-2-Pyridinyl)Cyclohexyl]Methyl}-alpha-Methyl-Nalpha-[(4-Nitrophenyl)Carbamoyl]-L-Tryptophanamide
[CAS# 204067-01-6]

Identification

• Name: N-{[1-(5-Methoxy-2-Pyridinyl)Cyclohexyl]Methyl}-alpha-Methyl-Nalpha-[(4-Nitrophenyl)Carbamoyl]-L-Tryptophanamide
• Synonyms: (S)-3-(1H-Indol-3-yl)-N-[1-(5-methoxy-pyridin-2-yl)-cyclohexylmethyl]-2-methyl-2-[3-(4-nitro-phenyl)-ureido]-propionamide; (S)-N-[[1-(5-Methoxy-2-pyridinyl)cyclohexyl]methyl]-a-methyl-a-[[[-(4-nitrophenyl)amino]carbonyl]amino-1H-indole-3-propanamide; [204067-01-6]
• Molecular Formula: C₃₂H₃₆N₆O₅
• Molecular Weight: 584.67
• CAS Registry Number: 204067-01-6
• SMILES: C[C@](CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=NC=C(C=C4)OC)NC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]
• InChI: 1S/C32H36N6O5/c1-31(18-22-19-33-27-9-5-4-8-26(22)27,37-30(40)36-23-10-12-24(13-11-23)38(41)42)29(39)35-21-32(16-6-3-7-17-32)28-15-14-25(43-2)20-34-28/h4-5,8-15,19-20,33H,3,6-7,16-18,21H2,1-2H3,(H,35,39)(H2,36,37,40)/t31-/m0/s1
• InChIKey: NNFUWNLENRUDHR-HKBQPEDESA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 838.8±65.0°C at 760 mmHg (Cal.)
• Flash point: 461.1±34.3°C (Cal.)
• Refractive index: 1.65 (Cal.)
• solubility: Soluble to 100 mM in DMSO