(2S)-N-[(2S)-3-[4,4-Dihydroxy-1-(1H-Indole-3-Carbonyl)-1-Cyclohex-2-Enyl]-2-(Methyl-(Phenylmethyl)Amino)Propanoyl]Pyrrolidine-2-Carboxamide
[CAS# 131948-41-9]

Identification

• Name: (2S)-N-[(2S)-3-[4,4-Dihydroxy-1-(1H-Indole-3-Carbonyl)-1-Cyclohex-2-Enyl]-2-(Methyl-(Phenylmethyl)Amino)Propanoyl]Pyrrolidine-2-Carboxamide
• Synonyms: (2S)-N-[(2S)-3-[4,4-Dihydroxy-1-(1H-Indol-3-Yl-Oxomethyl)-1-Cyclohex-2-Enyl]-2-(Methyl-(Phenylmethyl)Amino)-1-Oxopropyl]-2-Pyrrolidinecarboxamide; (2S)-N-[(2S)-2-(Benzyl-Methyl-Amino)-3-[4,4-Dihydroxy-1-(1H-Indole-3-Carbonyl)-1-Cyclohex-2-Enyl]Propanoyl]Pyrrolidine-2-Carboxamide; (2S)-N-[(2S)-3-[4,4-Dihydroxy-1-(1H-Indol-3-Ylcarbonyl)-1-Cyclohex-2-Enyl]-2-(Methyl-(Phenylmethyl)Amino)Propanoyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₃₁H₃₆N₄O₅
• Molecular Weight: 544.65
• CAS Registry Number: 131948-41-9
• SMILES: [C@H](N(CC1=CC=CC=C1)C)(CC4(C(=O)C2=C[NH]C3=C2C=CC=C3)C=CC(O)(O)CC4)C(=O)NC(=O)[C@H]5NCCC5
• InChI: 1S/C31H36N4O5/c1-35(20-21-8-3-2-4-9-21)26(29(38)34-28(37)25-12-7-17-32-25)18-30(13-15-31(39,40)16-14-30)27(36)23-19-33-24-11-6-5-10-22(23)24/h2-6,8-11,13,15,19,25-26,32-33,39-40H,7,12,14,16-18,20H2,1H3,(H,34,37,38)/t25-,26-,30?/m0/s1
• InChIKey: IFWOFNMURCNNHO-VSIHYXFCSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 787.224°C at 760 mmHg (Cal.)
• Flash point: 429.898°C (Cal.)