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disodium 3-(acetyloxymethyl)-7-[[2-[[6,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]carbonylamino]-2-[4-(carboxymethyloxy)phenyl]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

disodium 3-(acetyloxymethyl)-7-[[2-[[6,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]carbonylamino]-2-[4-(carboxymethyloxy)phenyl]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name:disodium 3-(acetyloxymethyl)-7-[[2-[[6,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]carbonylamino]-2-[4-(carboxymethyloxy)phenyl]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Openeye Name:disodium 3-(acetoxymethyl)-7-[[2-[4-(carboxymethyloxy)phenyl]-2-[(6,7-dihydroxy-4-oxo-chromene-3-carbonyl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name:disodium 3-(acetyloxymethyl)-7-[[2-[4-(carboxymethyloxy)phenyl]-2-[[(6,7-dihydroxy-4-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name:disodium 3-(acetyloxymethyl)-7-[[2-[4-(carboxymethyloxy)phenyl]-2-[(6,7-dihydroxy-4-oxochromene-3-carbonyl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Traditional Name:disodium 3-(acetoxymethyl)-7-[[2-[4-(carboxymethyloxy)phenyl]-2-[(6,7-dihydroxy-4-keto-chromene-3-carbonyl)amino]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Formula: C60H48N6Na2O28S2
MolecularWeight: 1411.15606
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)OCC(=O)O)NC(=O)C4=COC5=CC(=C(C=C5C4=O)O)O)SC1)C(=O)[O-].CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)OCC(=O)O)NC(=O)C4=COC5=CC(=C(C=C5C4=O)O)O)SC1)C(=O)[O-].[Na+].[Na+]


Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)OCC(=O)O)NC(=O)C4=COC5=CC(=C(C=C5C4=O)O)O)SC1)C(=O)[O-].CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)OCC(=O)O)NC(=O)C4=COC5=CC(=C(C=C5C4=O)O)O)SC1)C(=O)[O-].[Na+].[Na+]


InChI

InChI=1S/2C30H25N3O14S.2Na/c2*1-12(34)45-8-14-11-48-29-23(28(42)33(29)24(14)30(43)44)32-27(41)22(13-2-4-15(5-3-13)46-10-21(37)38)31-26(40)17-9-47-20-7-19(36)18(35)6-16(20)25(17)39;;/h2*2-7,9,22-23,29,35-36H,8,10-11H2,1H3,(H,31,40)(H,32,41)(H,37,38)(H,43,44);;/q;;2*+1/p-2


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