(2S)-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-3-oxidanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-3-oxidanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]propanamide CAS Name: (2S)-3-hydroxy-2-[[3-(1H-indol-3-yl)-1-oxoprop-2-enyl]amino]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]propanamide Traditional Name: (2S)-N-benzyl-3-hydroxy-2-[[3-(1H-indol-3-yl)acryloyl]amino]propionamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)[C@H](CO)NC(=O)C=CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O3/c25-14-19(21(27)23-12-15-6-2-1-3-7-15)24-20(26)11-10-16-13-22-18-9-5-4-8-17(16)18/h1-11,13,19,22,25H,12,14H2,(H,23,27)(H,24,26)/t19-/m0/s1