3-(2-azanylethanoyloxy)propyl-[(E)-3-[2-carboxy-7-(2-naphthalen-2-ylsulfanylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethyl-azanium

Systemtic Name: 3-(2-azanylethanoyloxy)propyl-[(E)-3-[2-carboxy-7-(2-naphthalen-2-ylsulfanylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethyl-azanium Openeye Name: 3-(2-aminoacetyl)oxypropyl-[(E)-3-[2-carboxy-7-[[2-(2-naphthylsulfanyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl]-dimethyl-ammonium CAS Name: 3-(2-amino-1-oxoethoxy)propyl-[(E)-3-[2-carboxy-7-[[2-(2-naphthalenylthio)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethylammonium IUPAC Name: 3-(2-aminoacetyl)oxypropyl-[(E)-3-[2-carboxy-7-[(2-naphthalen-2-ylsulfanylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethylazanium Traditional Name: [(E)-3-[2-carboxy-8-keto-7-[[2-(2-naphthylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl]-(3-glycyloxypropyl)-dimethyl-ammonium Formula: C29H35N4O6S2+ MolecularWeight: 599.7414

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCOC(=O)CN)CC=CC1=C(N2C(C(C2=O)NC(=O)CSC3=CC4=CC=CC=C4C=C3)SC1)C(=O)O

Isomeric SMILES

C[N+](C)(CCCOC(=O)CN)C/C=C/C1=C(N2C(C(C2=O)NC(=O)CSC3=CC4=CC=CC=C4C=C3)SC1)C(=O)O

InChI

InChI=1S/C29H34N4O6S2/c1-33(2,13-6-14-39-24(35)16-30)12-5-9-21-17-41-28-25(27(36)32(28)26(21)29(37)38)31-23(34)18-40-22-11-10-19-7-3-4-8-20(19)15-22/h3-5,7-11,15,25,28H,6,12-14,16-18,30H2,1-2H3,(H-,31,34,37,38)/p+1/b9-5+