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

Systemtic Name: sodium 6-[[bis(phenylmethoxy)phosphorylcarbamoylamino]oxycarbonyl-[(4-hydroxyphenyl)methyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-[(dibenzyloxyphosphorylcarbamoylamino)oxycarbonyl-[(4-hydroxyphenyl)methyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 6-[[[[[bis(phenylmethoxy)phosphorylamino]-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-[[bis(phenylmethoxy)phosphorylcarbamoylamino]oxycarbonyl-[(4-hydroxyphenyl)methyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[(dibenzoxyphosphorylcarbamoylamino)oxycarbonyl-(4-hydroxybenzyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C31H32N4NaO10PS MolecularWeight: 706.635111

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)N(CC3=CC=C(C=C3)O)C(=O)ONC(=O)NP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)N(CC3=CC=C(C=C3)O)C(=O)ONC(=O)NP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C31H33N4O10PS.Na/c1-31(2)25(28(38)39)35-26(37)24(27(35)47-31)34(17-20-13-15-23(36)16-14-20)30(41)45-32-29(40)33-46(42,43-18-21-9-5-3-6-10-21)44-19-22-11-7-4-8-12-22;/h3-16,24-25,27,36H,17-19H2,1-2H3,(H,38,39)(H2,32,33,40,42);/q;+1/p-1