(2R)-2-[3-[(3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl)amino]propanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[3-[(3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl)amino]propanoylamino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl)amino]propanoylamino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[3-[(2-hydroxy-3,3-dimethyl-1-oxo-4-phosphonooxybutyl)amino]-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoylamino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl)amino]propanoylamino]-3-mercapto-propionic acid Formula: C12H23N2O9PS MolecularWeight: 402.357781

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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(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)/t7-,9?/m0/s1