(2S)-N-(4-azanylbutyl)-3-(1H-indol-3-yl)-2-[(phenylmethyl)carbamoylamino]propanamide

Systemtic Name: (2S)-N-(4-azanylbutyl)-3-(1H-indol-3-yl)-2-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: (2S)-N-(4-aminobutyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide CAS Name: (2S)-N-(4-aminobutyl)-3-(1H-indol-3-yl)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]propanamide IUPAC Name: (2S)-N-(4-aminobutyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide Traditional Name: (2S)-N-(4-aminobutyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propionamide Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCCCCN

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCCCCN

InChI

InChI=1S/C23H29N5O2/c24-12-6-7-13-25-22(29)21(14-18-16-26-20-11-5-4-10-19(18)20)28-23(30)27-15-17-8-2-1-3-9-17/h1-5,8-11,16,21,26H,6-7,12-15,24H2,(H,25,29)(H2,27,28,30)/t21-/m0/s1