(2S)-5-azanyl-2-[[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridinylidene]methylamino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-5-keto-2-[[3-keto-2-methyl-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]valeric acid Formula: C13H18N3O8P MolecularWeight: 375.271081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(CCC(=O)N)C(=O)O)C1=O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=CN[C@@H](CCC(=O)N)C(=O)O)C1=O)COP(=O)(O)O

InChI

InChI=1S/C13H18N3O8P/c1-7-12(18)9(8(4-15-7)6-24-25(21,22)23)5-16-10(13(19)20)2-3-11(14)17/h4-5,10,16H,2-3,6H2,1H3,(H2,14,17)(H,19,20)(H2,21,22,23)/t10-/m0/s1