3-(1H-indol-3-yl)-2-[[(Z)-4-oxidanylidenepent-2-en-2-yl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[(Z)-4-oxidanylidenepent-2-en-2-yl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[(Z)-1-methyl-3-oxo-but-1-enyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[(Z)-4-oxopent-2-en-2-yl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[(Z)-4-oxopent-2-en-2-yl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[(Z)-3-keto-1-methyl-but-1-enyl]amino]propionic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

C/C(=C/C(=O)C)/NC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H18N2O3/c1-10(7-11(2)19)18-15(16(20)21)8-12-9-17-14-6-4-3-5-13(12)14/h3-7,9,15,17-18H,8H2,1-2H3,(H,20,21)/b10-7-