[azanyl-[[2-[[(6R,7R)-7-[2-(2-azanylethylsulfanyl)ethanoylamino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl]phenyl]methylsulfanyl]methylidene]azanium chloride

Systemtic Name: [azanyl-[[2-[[(6R,7R)-7-[2-(2-azanylethylsulfanyl)ethanoylamino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl]phenyl]methylsulfanyl]methylidene]azanium chloride Openeye Name: [amino-[[2-[[(6R,7R)-7-[[2-(2-aminoethylsulfanyl)acetyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl]phenyl]methylsulfanyl]methylene]ammonium chloride CAS Name: [amino-[[2-[[(6R,7R)-7-[[2-(2-aminoethylthio)-1-oxoethyl]amino]-2-[(4-methoxyphenyl)methoxy-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]phenyl]methylthio]methylidene]ammonium chloride IUPAC Name: [amino-[[2-[[(6R,7R)-7-[[2-(2-aminoethylsulfanyl)acetyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl]phenyl]methylsulfanyl]methylidene]azanium chloride Traditional Name: [amino-[[2-[[(6R,7R)-7-[[2-(2-aminoethylthio)acetyl]amino]-8-keto-2-p-anisyloxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]benzyl]thio]methylene]ammonium chloride Formula: C27H32ClN5O5S4 MolecularWeight: 670.28648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CSCCN)SC4=CC=CC=C4CSC(=[NH2+])N.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)CSCCN)SC4=CC=CC=C4CSC(=[NH2+])N.[Cl-]

InChI

InChI=1S/C27H31N5O5S4.ClH/c1-36-18-8-6-16(7-9-18)12-37-26(35)23-20(41-19-5-3-2-4-17(19)13-40-27(29)30)14-39-25-22(24(34)32(23)25)31-21(33)15-38-11-10-28;/h2-9,22,25H,10-15,28H2,1H3,(H3,29,30)(H,31,33);1H/t22-,25-;/m1./s1