3-[[1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propanoic acid

Systemtic Name: 3-[[1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propanoic acid Openeye Name: 2-benzyl-3-[[1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-propanoic acid CAS Name: 3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-oxo-2-(phenylmethyl)propanoic acid IUPAC Name: 2-benzyl-3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-oxopropanoic acid Traditional Name: 2-benzyl-3-[[2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]amino]-3-keto-propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c24-13-16(11-15-12-22-19-9-5-4-8-17(15)19)23-20(25)18(21(26)27)10-14-6-2-1-3-7-14/h1-9,12,16,18,22,24H,10-11,13H2,(H,23,25)(H,26,27)