(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[3-[2-[bis(azanyl)methylideneazaniumyl]ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[3-[2-[bis(azanyl)methylideneazaniumyl]ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[[3-[2-(diaminomethyleneammonio)ethylsulfanylmethyl]-4-pyridyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[[3-[[2-(diaminomethylideneammonio)ethylthio]methyl]-4-pyridinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[3-[2-(diaminomethylideneazaniumyl)ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-3-[[3-[[2-(diaminomethyleneammonio)ethylthio]methyl]-4-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H23N9O5S4 MolecularWeight: 609.72462

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)[O-])SC4=C(C=NC=C4)CSCC[NH+]=C(N)N

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)C(=O)[O-])SC4=C(C=NC=C4)CSCC[NH+]=C(N)N

InChI

InChI=1S/C21H23N9O5S4/c22-20(23)26-3-4-36-6-9-5-25-2-1-11(9)39-12-8-37-18-14(17(32)30(18)15(12)19(33)34)28-16(31)13(29-35)10-7-38-21(24)27-10/h1-2,5,7,14,18,35H,3-4,6,8H2,(H2,24,27)(H,28,31)(H,33,34)(H4,22,23,26)/b29-13-/t14-,18-/m1/s1