[4-methanoyl-2-methyl-5-(phosphonooxymethyl)pyridin-3-yl] (2S)-2-azanyl-3-phenyl-propanoate

Systemtic Name: [4-methanoyl-2-methyl-5-(phosphonooxymethyl)pyridin-3-yl] (2S)-2-azanyl-3-phenyl-propanoate Openeye Name: [4-formyl-2-methyl-5-(phosphonooxymethyl)-3-pyridyl] (2S)-2-amino-3-phenyl-propanoate CAS Name: (2S)-2-amino-3-phenylpropanoic acid [4-formyl-2-methyl-5-(phosphonooxymethyl)-3-pyridinyl] ester IUPAC Name: [4-formyl-2-methyl-5-(phosphonooxymethyl)pyridin-3-yl] (2S)-2-amino-3-phenylpropanoate Traditional Name: (2S)-2-amino-3-phenyl-propionic acid [4-formyl-2-methyl-5-(phosphonooxymethyl)-3-pyridyl] ester Formula: C17H19N2O7P MolecularWeight: 394.315721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1OC(=O)C(CC2=CC=CC=C2)N)C=O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1OC(=O)[C@H](CC2=CC=CC=C2)N)C=O)COP(=O)(O)O

InChI

InChI=1S/C17H19N2O7P/c1-11-16(14(9-20)13(8-19-11)10-25-27(22,23)24)26-17(21)15(18)7-12-5-3-2-4-6-12/h2-6,8-9,15H,7,10,18H2,1H3,(H2,22,23,24)/t15-/m0/s1