(2R)-2-[3-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonatooxy-butanoyl]amino]propanoylamino]-3-sulfanyl-propanoate

Systemtic Name: (2R)-2-[3-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonatooxy-butanoyl]amino]propanoylamino]-3-sulfanyl-propanoate Openeye Name: (2R)-2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonatooxy-butanoyl]amino]propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[3-[[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-phosphonatooxybutyl]amino]-1-oxopropyl]amino]-3-mercaptopropanoate IUPAC Name: (2R)-2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonatooxybutanoyl]amino]propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphato-butanoyl]amino]propanoylamino]-3-mercapto-propionate Formula: C12H20N2O9PS-3 MolecularWeight: 399.333961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COP(=O)([O-])[O-])C(C(=O)NCCC(=O)NC(CS)C(=O)[O-])O

Isomeric SMILES

CC(C)(COP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)[O-])O

InChI

InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/p-3/t7-,9-/m0/s1