(6R,7R)-7-[[(2Z)-2-(5-azanyl-2-chloranyl-thiophen-3-yl)-2-hydroxyimino-ethanoyl]amino]-3-[(E)-[1-[5-(hydroxymethyl)-1-[(5-methyl-2-oxidanylidene-1,3-dioxolan-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(5-azanyl-2-chloranyl-thiophen-3-yl)-2-hydroxyimino-ethanoyl]amino]-3-[(E)-[1-[5-(hydroxymethyl)-1-[(5-methyl-2-oxidanylidene-1,3-dioxolan-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-(5-amino-2-chloro-3-thienyl)-2-hydroxyimino-acetyl]amino]-3-[(E)-[1-[5-(hydroxymethyl)-1-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxo-pyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2Z)-2-(5-amino-2-chloro-3-thiophenyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[(E)-[1-[5-(hydroxymethyl)-1-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methoxy-oxomethyl]-3-pyrrolidinyl]-2-oxo-3-pyrrolidinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-(5-amino-2-chlorothiophen-3-yl)-2-hydroxyiminoacetyl]amino]-3-[(E)-[1-[5-(hydroxymethyl)-1-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2Z)-2-(5-amino-2-chloro-3-thienyl)-2-hydroximino-acetyl]amino]-8-keto-3-[(E)-[2-keto-1-[1-[(2-keto-5-methyl-1,3-dioxolan-4-yl)methoxycarbonyl]-5-methylol-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C29H31ClN6O12S2 MolecularWeight: 755.17244

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)O1)COC(=O)N2CC(CC2CO)N3CCC(=CC4=C(N5C(C(C5=O)NC(=O)C(=NO)C6=C(SC(=C6)N)Cl)SC4)C(=O)O)C3=O

Isomeric SMILES

CC1C(OC(=O)O1)COC(=O)N2CC(CC2CO)N3CC/C(=C\C4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=N\O)/C6=C(SC(=C6)N)Cl)SC4)C(=O)O)/C3=O

InChI

InChI=1S/C29H31ClN6O12S2/c1-11-17(48-29(44)47-11)9-46-28(43)35-7-14(5-15(35)8-37)34-3-2-12(24(34)39)4-13-10-49-26-20(25(40)36(26)21(13)27(41)42)32-23(38)19(33-45)16-6-18(31)50-22(16)30/h4,6,11,14-15,17,20,26,37,45H,2-3,5,7-10,31H2,1H3,(H,32,38)(H,41,42)/b12-4+,33-19-/t11?,14?,15?,17?,20-,26-/m1/s1