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

Systemtic Name: (4S)-4-azanyl-5-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid Openeye Name: (4S)-4-amino-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanoic acid CAS Name: (4S)-4-amino-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]pentanoic acid IUPAC Name: (4S)-4-amino-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid Traditional Name: (4S)-4-amino-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]valeric acid Formula: C13H22N3O7P MolecularWeight: 363.303441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNCC(CCC(=O)O)N)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CNC[C@H](CCC(=O)O)N)COP(=O)(O)O

InChI

InChI=1S/C13H22N3O7P/c1-8-13(19)11(6-15-5-10(14)2-3-12(17)18)9(4-16-8)7-23-24(20,21)22/h4,10,15,19H,2-3,5-7,14H2,1H3,(H,17,18)(H2,20,21,22)/t10-/m0/s1