(2S)-N-(6-azanylhexyl)-3-(1H-indol-3-yl)-2-[(phenylmethyl)carbamoylamino]propanamide

Systemtic Name: (2S)-N-(6-azanylhexyl)-3-(1H-indol-3-yl)-2-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: (2S)-N-(6-aminohexyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide CAS Name: (2S)-N-(6-aminohexyl)-3-(1H-indol-3-yl)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]propanamide IUPAC Name: (2S)-N-(6-aminohexyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide Traditional Name: (2S)-N-(6-aminohexyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propionamide Formula: C25H33N5O2 MolecularWeight: 435.56182

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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)NCCCCCCN

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O2/c26-14-8-1-2-9-15-27-24(31)23(16-20-18-28-22-13-7-6-12-21(20)22)30-25(32)29-17-19-10-4-3-5-11-19/h3-7,10-13,18,23,28H,1-2,8-9,14-17,26H2,(H,27,31)(H2,29,30,32)/t23-/m0/s1