7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[3-[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[3-[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[[3-[2-[(2-amino-3-hydroxy-propanoyl)amino]ethylsulfanylmethyl]-4-pyridyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-5-chloro-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[[3-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]ethylthio]methyl]-4-pyridinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[3-[2-[(2-amino-3-hydroxypropanoyl)amino]ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroximino-acetyl]amino]-3-[[3-[[2-[(2-amino-3-hydroxy-propanoyl)amino]ethylthio]methyl]-4-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H25ClN8O7S4 MolecularWeight: 689.207

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)CSCCNC(=O)C(CO)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/O)/C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)CSCCNC(=O)C(CO)N

InChI

InChI=1S/C23H25ClN8O7S4/c24-17-13(30-23(26)43-17)14(31-39)19(35)29-15-20(36)32-16(22(37)38)12(8-41-21(15)32)42-11-1-2-27-5-9(11)7-40-4-3-28-18(34)10(25)6-33/h1-2,5,10,15,21,33,39H,3-4,6-8,25H2,(H2,26,30)(H,28,34)(H,29,35)(H,37,38)/b31-14+