(2S)-N-[[1-(4-aminophenyl)cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide

Systemtic Name: (2S)-N-[[1-(4-aminophenyl)cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide Openeye Name: (2S)-N-[[1-(4-aminophenyl)cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide CAS Name: (2S)-N-[[1-(4-aminophenyl)cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-methyl-2-[[(4-nitroanilino)-oxomethyl]amino]propanamide IUPAC Name: (2S)-N-[[1-(4-aminophenyl)cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide Traditional Name: (2S)-N-[[1-(4-aminophenyl)cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propionamide Formula: C32H36N6O4 MolecularWeight: 568.66604

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=C(C=C4)N)NC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C[C@](CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=C(C=C4)N)NC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H36N6O4/c1-31(19-22-20-34-28-8-4-3-7-27(22)28,37-30(40)36-25-13-15-26(16-14-25)38(41)42)29(39)35-21-32(17-5-2-6-18-32)23-9-11-24(33)12-10-23/h3-4,7-16,20,34H,2,5-6,17-19,21,33H2,1H3,(H,35,39)(H2,36,37,40)/t31-/m0/s1