(Z)-5-azanyl-2-[[2-methylpropyl(oxidanyl)phosphoryl]methyl]-3-propanethioyl-hex-2-enedioic acid

Systemtic Name: (Z)-5-azanyl-2-[[2-methylpropyl(oxidanyl)phosphoryl]methyl]-3-propanethioyl-hex-2-enedioic acid Openeye Name: (Z)-5-amino-2-[[hydroxy(isobutyl)phosphoryl]methyl]-3-propanethioyl-hex-2-enedioic acid CAS Name: (Z)-5-amino-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-3-(1-sulfanylidenepropyl)-2-hexenedioic acid IUPAC Name: (Z)-5-amino-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-3-propanethioylhex-2-enedioic acid Traditional Name: (Z)-5-amino-2-[[hydroxy(isobutyl)phosphoryl]methyl]-3-propanethioyl-hex-2-enedioic acid Formula: C14H24NO6PS MolecularWeight: 365.382221

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)C(=C(CP(=O)(CC(C)C)O)C(=O)O)CC(C(=O)O)N

Isomeric SMILES

CCC(=S)/C(=C(\CP(=O)(CC(C)C)O)/C(=O)O)/CC(C(=O)O)N

InChI

InChI=1S/C14H24NO6PS/c1-4-12(23)9(5-11(15)14(18)19)10(13(16)17)7-22(20,21)6-8(2)3/h8,11H,4-7,15H2,1-3H3,(H,16,17)(H,18,19)(H,20,21)/b10-9+