(6R,7R)-7-[[5,6-bis(oxidanyl)-6-oxidanylidene-hexanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[5,6-bis(oxidanyl)-6-oxidanylidene-hexanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[(5,6-dihydroxy-6-oxo-hexanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[(5,6-dihydroxy-1,6-dioxohexyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[(5,6-dihydroxy-6-oxohexanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[(5,6-dihydroxy-6-keto-hexanoyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)O)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(C(=O)O)O)SC1)C(=O)O

InChI

InChI=1S/C14H18N2O7S/c1-6-5-24-12-9(11(19)16(12)10(6)14(22)23)15-8(18)4-2-3-7(17)13(20)21/h7,9,12,17H,2-5H2,1H3,(H,15,18)(H,20,21)(H,22,23)/t7?,9-,12-/m1/s1