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

Systemtic Name: (6R,7R)-3-[3-(2-azaniumylethylsulfanylmethyl)pyridin-4-yl]sulfanyl-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-cyclopentyloxyimino-ethanoyl]amino]-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-(cyclopentoxyimino)acetyl]amino]-3-[[3-(2-azaniumylethylsulfanylmethyl)-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-cyclopentyloxyimino-1-oxoethyl]amino]-3-[[3-[(2-ammonioethylthio)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-cyclopentyloxyiminoacetyl]amino]-3-[3-(2-azaniumylethylsulfanylmethyl)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-cyclopentyloximino-acetyl]amino]-3-[[3-[(2-ammonioethylthio)methyl]-4-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C25H29N7O5S4 MolecularWeight: 635.80166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)ON=C(C2=CSC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)SC5=C(C=NC=C5)CSCC[NH3+])C(=O)[O-]

Isomeric SMILES

C1CCC(C1)O/N=C(/C2=CSC(=N2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)SC5=C(C=NC=C5)CSCC[NH3+])C(=O)[O-]

InChI

InChI=1S/C25H29N7O5S4/c26-6-8-38-10-13-9-28-7-5-16(13)41-17-12-39-23-19(22(34)32(23)20(17)24(35)36)30-21(33)18(15-11-40-25(27)29-15)31-37-14-3-1-2-4-14/h5,7,9,11,14,19,23H,1-4,6,8,10,12,26H2,(H2,27,29)(H,30,33)(H,35,36)/b31-18-/t19-,23-/m1/s1