(2S)-N²-[(2S)-1-[Benzyl(Methyl)Amino]-3-(2-Naphthyl)-1-Oxo-2-Propanyl]-N¹-(2-Nitrophenyl)-1,2-Pyrrolidinedicarboxamide
[CAS# 180046-99-5]

Identification

• Name: (2S)-N²-[(2S)-1-[Benzyl(Methyl)Amino]-3-(2-Naphthyl)-1-Oxo-2-Propanyl]-N¹-(2-Nitrophenyl)-1,2-Pyrrolidinedicarboxamide
• Synonyms: (S)-Pyrrolidine-1,2-dicarboxylic acid 2-{[(S)-1-(benzyl-methyl-carbamoyl)-2-naphthalen-2-yl-ethyl]-amide} 1-[(2-nitro-phenyl)-amide]; 1-[[(2-Nitrophenyl)amino]carbonyl]-L-prolyl-N-methyl-3-(2-naphthalenyl)-N-(phenylmethyl)-L-alaninamide
• Molecular Formula: C₃₃H₃₃N₅O₅
• Molecular Weight: 579.65
• CAS Registry Number: 180046-99-5
• SMILES: CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@@H]4CCCN4C(=O)NC5=CC=CC=C5[N+](=O)[O-]
• InChI: 1S/C33H33N5O5/c1-36(22-23-10-3-2-4-11-23)32(40)28(21-24-17-18-25-12-5-6-13-26(25)20-24)34-31(39)30-16-9-19-37(30)33(41)35-27-14-7-8-15-29(27)38(42)43/h2-8,10-15,17-18,20,28,30H,9,16,19,21-22H2,1H3,(H,34,39)(H,35,41)/t28-,30-/m0/s1
• InChIKey: PCVSIMQAFWRUEC-JDXGNMNLSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 892.8±65.0°C at 760 mmHg (Cal.)
• Flash point: 493.8±34.3°C (Cal.)
• Refractive index: 1.676 (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol