7-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(5-amino-6-hydroxy-6-oxo-hexanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(5-amino-6-hydroxy-1,6-dioxohexyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(5-amino-6-hydroxy-6-oxohexanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(5-amino-6-hydroxy-6-keto-hexanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H17N3O6S MolecularWeight: 343.35558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)NC(=O)CCCC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)NC(=O)CCCC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C13H17N3O6S/c14-6(12(19)20)2-1-3-8(17)15-9-10(18)16-7(13(21)22)4-5-23-11(9)16/h4,6,9,11H,1-3,5,14H2,(H,15,17)(H,19,20)(H,21,22)