(6R,7R)-7-[2-(2-azanylethylsulfanyl)ethanoylamino]-3-[2-(carbamimidoylsulfanylmethyl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[2-(2-azanylethylsulfanyl)ethanoylamino]-3-[2-(carbamimidoylsulfanylmethyl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[2-(2-aminoethylsulfanyl)acetyl]amino]-3-[2-(carbamimidoylsulfanylmethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[2-(2-aminoethylthio)-1-oxoethyl]amino]-3-[[2-[(carbamimidoylthio)methyl]phenyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[2-(2-aminoethylsulfanyl)acetyl]amino]-3-[2-(carbamimidoylsulfanylmethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-[[2-[(amidinothio)methyl]phenyl]thio]-7-[[2-(2-aminoethylthio)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H23N5O4S4 MolecularWeight: 513.67702

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSCCN)C(=O)O)SC3=CC=CC=C3CSC(=N)N

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSCCN)C(=O)O)SC3=CC=CC=C3CSC(=N)N

InChI

InChI=1S/C19H23N5O4S4/c20-5-6-29-9-13(25)23-14-16(26)24-15(18(27)28)12(8-30-17(14)24)32-11-4-2-1-3-10(11)7-31-19(21)22/h1-4,14,17H,5-9,20H2,(H3,21,22)(H,23,25)(H,27,28)/t14-,17-/m1/s1