sodium (6R)-6-[[(2R)-2-[2-[[5-bromanyl-2,3-bis(methoxycarbonyloxy)phenyl]carbonyl-[3-[[5-bromanyl-2,3-bis(methoxycarbonyloxy)phenyl]carbonyl-methyl-amino]propyl]amino]ethanoylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium (6R)-6-[[(2R)-2-[2-[[5-bromanyl-2,3-bis(methoxycarbonyloxy)phenyl]carbonyl-[3-[[5-bromanyl-2,3-bis(methoxycarbonyloxy)phenyl]carbonyl-methyl-amino]propyl]amino]ethanoylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (6R)-6-[[(2R)-2-[[2-[[5-bromo-2,3-bis(methoxycarbonyloxy)benzoyl]-[3-[[5-bromo-2,3-bis(methoxycarbonyloxy)benzoyl]-methyl-amino]propyl]amino]acetyl]amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (6R)-6-[[(2R)-2-[[2-[[[5-bromo-2,3-bis(methoxycarbonyloxy)phenyl]-oxomethyl]-[3-[[[5-bromo-2,3-bis(methoxycarbonyloxy)phenyl]-oxomethyl]-methylamino]propyl]amino]-1-oxoethyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (6R)-6-[[(2R)-2-[[2-[[5-bromo-2,3-bis(methoxycarbonyloxy)benzoyl]-[3-[[5-bromo-2,3-bis(methoxycarbonyloxy)benzoyl]-methylamino]propyl]amino]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (6R)-6-[[(2R)-2-[[2-[(5-bromo-2,3-dicarbomethoxyoxy-benzoyl)-[3-[(5-bromo-2,3-dicarbomethoxyoxy-benzoyl)-methyl-amino]propyl]amino]acetyl]amino]-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C44H44Br2N5NaO19S MolecularWeight: 1161.70503

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)CN(CCCN(C)C(=O)C4=CC(=CC(=C4OC(=O)OC)OC(=O)OC)Br)C(=O)C5=CC(=CC(=C5OC(=O)OC)OC(=O)OC)Br)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)CN(CCCN(C)C(=O)C4=CC(=CC(=C4OC(=O)OC)OC(=O)OC)Br)C(=O)C5=CC(=CC(=C5OC(=O)OC)OC(=O)OC)Br)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C44H45Br2N5O19S.Na/c1-44(2)33(39(57)58)51-37(56)30(38(51)71-44)48-34(53)29(21-12-9-8-10-13-21)47-28(52)20-50(36(55)25-17-23(46)19-27(68-41(60)64-5)32(25)70-43(62)66-7)15-11-14-49(3)35(54)24-16-22(45)18-26(67-40(59)63-4)31(24)69-42(61)65-6;/h8-10,12-13,16-19,29-30,33,38H,11,14-15,20H2,1-7H3,(H,47,52)(H,48,53)(H,57,58);/q;+1/p-1/t29-,30-,33?,38?;/m1./s1