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

Systemtic Name: (2S)-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-N-methyl-3-oxidanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-N-methyl-propanamide CAS Name: (2S)-3-hydroxy-2-[[3-(1H-indol-3-yl)-1-oxoprop-2-enyl]amino]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-N-methylpropanamide Traditional Name: (2S)-N-benzyl-3-hydroxy-2-[[3-(1H-indol-3-yl)acryloyl]amino]-N-methyl-propionamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C(CO)NC(=O)C=CC2=CNC3=CC=CC=C32

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@H](CO)NC(=O)C=CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H23N3O3/c1-25(14-16-7-3-2-4-8-16)22(28)20(15-26)24-21(27)12-11-17-13-23-19-10-6-5-9-18(17)19/h2-13,20,23,26H,14-15H2,1H3,(H,24,27)/t20-/m0/s1