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

Systemtic Name: (2S)-N-(3-azanylpropyl)-3-(1H-indol-3-yl)-2-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: (2S)-N-(3-aminopropyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide CAS Name: (2S)-N-(3-aminopropyl)-3-(1H-indol-3-yl)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]propanamide IUPAC Name: (2S)-N-(3-aminopropyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide Traditional Name: (2S)-N-(3-aminopropyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propionamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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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)NCCCN

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2/c23-11-6-12-24-21(28)20(13-17-15-25-19-10-5-4-9-18(17)19)27-22(29)26-14-16-7-2-1-3-8-16/h1-5,7-10,15,20,25H,6,11-14,23H2,(H,24,28)(H2,26,27,29)/t20-/m0/s1