N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(1H-indol-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(1H-indol-3-ylmethyl)piperidine-4-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-1-(1H-indol-3-ylmethyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(1H-indol-3-ylmethyl)-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(1H-indol-3-ylmethyl)piperidine-4-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-1-(1H-indol-3-ylmethyl)isonipecotamide Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)N)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H28N4O2/c25-23(29)22(14-17-6-2-1-3-7-17)27-24(30)18-10-12-28(13-11-18)16-19-15-26-21-9-5-4-8-20(19)21/h1-9,15,18,22,26H,10-14,16H2,(H2,25,29)(H,27,30)/t22-/m0/s1