(2S)-N-(4-azanylbutyl)-3-(1H-indol-3-yl)-2-(phenethylcarbamoylamino)propanamide

Systemtic Name: (2S)-N-(4-azanylbutyl)-3-(1H-indol-3-yl)-2-(phenethylcarbamoylamino)propanamide Openeye Name: (2S)-N-(4-aminobutyl)-3-(1H-indol-3-yl)-2-(phenethylcarbamoylamino)propanamide CAS Name: (2S)-N-(4-aminobutyl)-3-(1H-indol-3-yl)-2-[[oxo-(phenethylamino)methyl]amino]propanamide IUPAC Name: (2S)-N-(4-aminobutyl)-3-(1H-indol-3-yl)-2-(phenethylcarbamoylamino)propanamide Traditional Name: (2S)-N-(4-aminobutyl)-3-(1H-indol-3-yl)-2-(phenethylcarbamoylamino)propionamide Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O2/c25-13-6-7-14-26-23(30)22(16-19-17-28-21-11-5-4-10-20(19)21)29-24(31)27-15-12-18-8-2-1-3-9-18/h1-5,8-11,17,22,28H,6-7,12-16,25H2,(H,26,30)(H2,27,29,31)/t22-/m0/s1