7-azanyl-N-[3-(1H-indol-3-yl)-1-oxidanylidene-1-(3-phenylpropylamino)propan-2-yl]heptanamide

Systemtic Name: 7-azanyl-N-[3-(1H-indol-3-yl)-1-oxidanylidene-1-(3-phenylpropylamino)propan-2-yl]heptanamide Openeye Name: 7-amino-N-[1-(1H-indol-3-ylmethyl)-2-oxo-2-(3-phenylpropylamino)ethyl]heptanamide CAS Name: 7-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]heptanamide IUPAC Name: 7-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]heptanamide Traditional Name: 7-amino-N-[1-(1H-indol-3-ylmethyl)-2-keto-2-(3-phenylpropylamino)ethyl]enanthamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CCCCCCN

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CCCCCCN

InChI

InChI=1S/C27H36N4O2/c28-17-9-2-1-6-16-26(32)31-25(19-22-20-30-24-15-8-7-14-23(22)24)27(33)29-18-10-13-21-11-4-3-5-12-21/h3-5,7-8,11-12,14-15,20,25,30H,1-2,6,9-10,13,16-19,28H2,(H,29,33)(H,31,32)