7-[2-[(7-acetyloxy-2-oxidanylidene-chromen-3-yl)carbonyl-methyl-amino]ethanoylamino]-3-[[3-carboxy-4-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phenyl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[2-[(7-acetyloxy-2-oxidanylidene-chromen-3-yl)carbonyl-methyl-amino]ethanoylamino]-3-[[3-carboxy-4-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phenyl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[(7-acetoxy-2-oxo-chromene-3-carbonyl)-methyl-amino]acetyl]amino]-3-[[3-carboxy-4-(3-hydroxy-6-oxo-xanthen-9-yl)phenyl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[[(7-acetyloxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]-methylamino]-1-oxoethyl]amino]-3-[[[3-carboxy-4-(3-hydroxy-6-oxo-9-xanthenyl)phenyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[(7-acetyloxy-2-oxochromene-3-carbonyl)-methylamino]acetyl]amino]-3-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)phenyl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[(7-acetoxy-2-keto-chromene-3-carbonyl)-methyl-amino]acetyl]amino]-3-[[[3-carboxy-4-(3-hydroxy-6-keto-xanthen-9-yl)phenyl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C43H31N3O14S2 MolecularWeight: 877.84794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N(C)CC(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=CC(=C(C=C5)C6=C7C=CC(=O)C=C7OC8=C6C=CC(=C8)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N(C)CC(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=CC(=C(C=C5)C6=C7C=CC(=O)C=C7OC8=C6C=CC(=C8)O)C(=O)O)C(=O)O

InChI

InChI=1S/C43H31N3O14S2/c1-19(47)58-24-6-3-20-11-30(43(57)60-31(20)14-24)38(51)45(2)16-34(50)44-36-39(52)46-37(42(55)56)21(18-62-40(36)46)17-61-25-7-10-26(29(15-25)41(53)54)35-27-8-4-22(48)12-32(27)59-33-13-23(49)5-9-28(33)35/h3-15,36,40,48H,16-18H2,1-2H3,(H,44,50)(H,53,54)(H,55,56)