2-[[(Z)-4-oxidanylidenepent-2-en-2-yl]amino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[(Z)-4-oxidanylidenepent-2-en-2-yl]amino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[(Z)-1-methyl-3-oxo-but-1-enyl]amino]propanoic acid CAS Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[(Z)-4-oxopent-2-en-2-yl]amino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[(Z)-4-oxopent-2-en-2-yl]amino]propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[(Z)-3-keto-1-methyl-but-1-enyl]amino]propionic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)O

Isomeric SMILES

C/C(=C/C(=O)C)/NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)O

InChI

InChI=1S/C16H18N2O4/c1-9(5-10(2)19)18-15(16(21)22)6-11-8-17-14-4-3-12(20)7-13(11)14/h3-5,7-8,15,17-18,20H,6H2,1-2H3,(H,21,22)/b9-5-