7-azanyl-8-oxidanylidene-3-[[2-oxidanylidene-2-[4-(3-oxidanyl-7-oxidanylidene-phenoxazin-4-yl)carbonylpiperazin-1-yl]ethyl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[[2-oxidanylidene-2-[4-(3-oxidanyl-7-oxidanylidene-phenoxazin-4-yl)carbonylpiperazin-1-yl]ethyl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[[2-[4-(3-hydroxy-7-oxo-phenoxazine-4-carbonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[[2-[4-[(3-hydroxy-7-oxo-4-phenoxazinyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[[2-[4-(3-hydroxy-7-oxophenoxazine-4-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[[[2-[4-(3-hydroxy-7-keto-phenoxazine-4-carbonyl)piperazino]-2-keto-ethyl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C27H25N5O8S2 MolecularWeight: 611.6461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=C(N3C(C(C3=O)N)SC2)C(=O)O)C(=O)C4=C(C=CC5=C4OC6=CC(=O)C=CC6=N5)O

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=C(N3C(C(C3=O)N)SC2)C(=O)O)C(=O)C4=C(C=CC5=C4OC6=CC(=O)C=CC6=N5)O

InChI

InChI=1S/C27H25N5O8S2/c28-21-25(37)32-22(27(38)39)13(11-42-26(21)32)10-41-12-19(35)30-5-7-31(8-6-30)24(36)20-17(34)4-3-16-23(20)40-18-9-14(33)1-2-15(18)29-16/h1-4,9,21,26,34H,5-8,10-12,28H2,(H,38,39)