7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[3-[2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]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-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]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-[(2,5-diamino-5-oxo-pentanoyl)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-[(2,5-diamino-1,5-dioxopentyl)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-[(2,5-diamino-5-oxopentanoyl)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-[(2,5-diamino-5-keto-pentanoyl)amino]ethylthio]methyl]-4-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H28ClN9O7S4 MolecularWeight: 730.25892

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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(CCC(=O)N)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(CCC(=O)N)N

InChI

InChI=1S/C25H28ClN9O7S4/c26-19-15(33-25(29)46-19)16(34-42)21(38)32-17-22(39)35-18(24(40)41)13(9-44-23(17)35)45-12-3-4-30-7-10(12)8-43-6-5-31-20(37)11(27)1-2-14(28)36/h3-4,7,11,17,23,42H,1-2,5-6,8-9,27H2,(H2,28,36)(H2,29,33)(H,31,37)(H,32,38)(H,40,41)/b34-16+