3-(1H-indol-3-yl)-2-[[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridinylidene]methylamino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[3-keto-2-methyl-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]propionic acid Formula: C19H20N3O7P MolecularWeight: 433.351761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(CC2=CNC3=CC=CC=C32)C(=O)O)C1=O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=CNC(CC2=CNC3=CC=CC=C32)C(=O)O)C1=O)COP(=O)(O)O

InChI

InChI=1S/C19H20N3O7P/c1-11-18(23)15(13(8-20-11)10-29-30(26,27)28)9-22-17(19(24)25)6-12-7-21-16-5-3-2-4-14(12)16/h2-5,7-9,17,21-22H,6,10H2,1H3,(H,24,25)(H2,26,27,28)