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

Systemtic Name: (2S)-2-azanyl-4-[4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]phenyl]butanoic acid Openeye Name: (2S)-2-amino-4-[4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]phenyl]butanoic acid CAS Name: (2S)-2-amino-4-[4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]phenyl]butanoic acid IUPAC Name: (2S)-2-amino-4-[4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]phenyl]butanoic acid Traditional Name: (2S)-2-amino-4-[4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]phenyl]butyric acid Formula: C18H24N3O7P MolecularWeight: 425.372821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC2=CC=C(C=C2)CCC(C(=O)O)N)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CNC2=CC=C(C=C2)CC[C@@H](C(=O)O)N)COP(=O)(O)O

InChI

InChI=1S/C18H24N3O7P/c1-11-17(22)15(13(8-20-11)10-28-29(25,26)27)9-21-14-5-2-12(3-6-14)4-7-16(19)18(23)24/h2-3,5-6,8,16,21-22H,4,7,9-10,19H2,1H3,(H,23,24)(H2,25,26,27)/t16-/m0/s1