N-[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-3-(cyclohexylcarbamoylamino)-1-(1-methylpyrrol-2-yl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-3-(cyclohexylcarbamoylamino)-1-(1-methylpyrrol-2-yl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-3-(cyclohexylcarbamoylamino)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-[[(cyclohexylamino)-oxomethyl]amino]-1-[(1-methyl-2-pyrrolyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(cyclohexylcarbamoylamino)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-3-(cyclohexylcarbamoylamino)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide Formula: C29H37N7O4 MolecularWeight: 547.64858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCC(C2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)NC5CCCCC5

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCC(C2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)NC5CCCCC5

InChI

InChI=1S/C29H37N7O4/c1-35-14-7-12-24(35)28(39)36-15-13-22(34-29(40)32-19-8-3-2-4-9-19)25(36)27(38)33-23(26(30)37)16-18-17-31-21-11-6-5-10-20(18)21/h5-7,10-12,14,17,19,22-23,25,31H,2-4,8-9,13,15-16H2,1H3,(H2,30,37)(H,33,38)(H2,32,34,40)