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

Systemtic Name: (6R,7R)-7-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-3-(hydroxymethyl)-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[(5-amino-6-hydroxy-6-oxo-hexanoyl)amino]-3-(hydroxymethyl)-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[(5-amino-6-hydroxy-1,6-dioxohexyl)amino]-3-(hydroxymethyl)-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[(5-amino-6-hydroxy-6-oxohexanoyl)amino]-3-(hydroxymethyl)-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[(5-amino-6-hydroxy-6-keto-hexanoyl)amino]-7-methoxy-3-methylol-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H23N3O7S MolecularWeight: 389.42402

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CN2C1SCC(=C2C(=O)O)CO)NC(=O)CCCC(C(=O)O)N

Isomeric SMILES

CO[C@@]1(CN2[C@@H]1SCC(=C2C(=O)O)CO)NC(=O)CCCC(C(=O)O)N

InChI

InChI=1S/C15H23N3O7S/c1-25-15(17-10(20)4-2-3-9(16)12(21)22)7-18-11(13(23)24)8(5-19)6-26-14(15)18/h9,14,19H,2-7,16H2,1H3,(H,17,20)(H,21,22)(H,23,24)/t9?,14-,15-/m1/s1