sodium 6-[[[ethyl(phenylmethoxy)phosphoryl]carbamoylamino]oxycarbonyl-[(4-hydroxyphenyl)methyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 6-[[[ethyl(phenylmethoxy)phosphoryl]carbamoylamino]oxycarbonyl-[(4-hydroxyphenyl)methyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-[[[benzyloxy(ethyl)phosphoryl]carbamoylamino]oxycarbonyl-[(4-hydroxyphenyl)methyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 6-[[[[[[ethyl(phenylmethoxy)phosphoryl]amino]-oxomethyl]amino]oxy-oxomethyl]-[(4-hydroxyphenyl)methyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-[[[ethyl(phenylmethoxy)phosphoryl]carbamoylamino]oxycarbonyl-[(4-hydroxyphenyl)methyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[[[benzoxy(ethyl)phosphoryl]carbamoylamino]oxycarbonyl-(4-hydroxybenzyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C26H30N4NaO9PS MolecularWeight: 628.566331

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Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)(NC(=O)NOC(=O)N(CC1=CC=C(C=C1)O)C2C3N(C2=O)C(C(S3)(C)C)C(=O)[O-])OCC4=CC=CC=C4.[Na+]

Isomeric SMILES

CCP(=O)(NC(=O)NOC(=O)N(CC1=CC=C(C=C1)O)C2C3N(C2=O)C(C(S3)(C)C)C(=O)[O-])OCC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C26H31N4O9PS.Na/c1-4-40(37,38-15-17-8-6-5-7-9-17)28-24(35)27-39-25(36)29(14-16-10-12-18(31)13-11-16)19-21(32)30-20(23(33)34)26(2,3)41-22(19)30;/h5-13,19-20,22,31H,4,14-15H2,1-3H3,(H,33,34)(H2,27,28,35,37);/q;+1/p-1