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

Systemtic Name: (6R,7R)-3-[3-[(2-azaniumylidene-2-azanyl-ethyl)sulfanylmethyl]pyridin-4-yl]sulfanyl-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7R)-3-[[3-[(2-amino-2-azaniumylidene-ethyl)sulfanylmethyl]-4-pyridyl]sulfanyl]-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-[[3-[[(2-amino-2-iminioethyl)thio]methyl]-4-pyridinyl]thio]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7R)-3-[3-[(2-amino-2-azaniumylideneethyl)sulfanylmethyl]pyridin-4-yl]sulfanyl-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-[[3-[[(2-amino-2-iminio-ethyl)thio]methyl]-4-pyridyl]thio]-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C20H20N8O5S4 MolecularWeight: 580.6834

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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(=[NH2+])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(=[NH2+])N

InChI

InChI=1S/C20H20N8O5S4/c21-12(22)7-34-4-8-3-24-2-1-10(8)37-11-6-35-18-14(17(30)28(18)15(11)19(31)32)26-16(29)13(27-33)9-5-36-20(23)25-9/h1-3,5,14,18,33H,4,6-7H2,(H3,21,22)(H2,23,25)(H,26,29)(H,31,32)/b27-13-/t14-,18-/m1/s1