bismuth 3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate

Systemtic Name: bismuth 3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate Openeye Name: bismuth 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoate CAS Name: bismuth 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanoate IUPAC Name: bismuth 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate Traditional Name: bismuth 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propionate Formula: C27H48BiN3O15 MolecularWeight: 863.6615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Bi+3]

Isomeric SMILES

CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.[Bi+3]

InChI

InChI=1S/3C9H17NO5.Bi/c3*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h3*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;;+3/p-3/t3*7-;/m000./s1