(6R,7R)-7-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)-3-[[3-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]-1,2-oxazol-5-yl]methoxy]prop-2-enoyl]amino]-3-[[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)-3-[[3-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]-1,2-oxazol-5-yl]methoxy]prop-2-enoyl]amino]-3-[[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(Z)-2-(2-aminothiazol-4-yl)-3-[[3-(1,5-dihydroxy-4-oxo-2-pyridyl)isoxazol-5-yl]methoxy]prop-2-enoyl]amino]-3-[[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(Z)-2-(2-amino-4-thiazolyl)-3-[[3-(1,5-dihydroxy-4-oxo-2-pyridinyl)-5-isoxazolyl]methoxy]-1-oxoprop-2-enyl]amino]-3-[[[1-(2-hydroxyethyl)-4-pyridin-1-iumyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-3-[[3-(1,5-dihydroxy-4-oxopyridin-2-yl)-1,2-oxazol-5-yl]methoxy]prop-2-enoyl]amino]-3-[[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(Z)-2-(2-aminothiazol-4-yl)-3-[[3-(1,5-dihydroxy-4-keto-2-pyridyl)isoxazol-5-yl]methoxy]acryloyl]amino]-3-[[[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C30H28N7O10S3+ MolecularWeight: 742.77922

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=COCC3=CC(=NO3)C4=CC(=O)C(=CN4O)O)C5=CSC(=N5)N)C(=O)O)CSC6=CC=[N+](C=C6)CCO

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\OCC3=CC(=NO3)C4=CC(=O)C(=CN4O)O)/C5=CSC(=N5)N)C(=O)O)CSC6=CC=[N+](C=C6)CCO

InChI

InChI=1S/C30H27N7O10S3/c31-30-32-20(14-50-30)18(11-46-10-16-7-19(34-47-16)21-8-22(39)23(40)9-36(21)45)26(41)33-24-27(42)37-25(29(43)44)15(13-49-28(24)37)12-48-17-1-3-35(4-2-17)5-6-38/h1-4,7-9,11,14,24,28,38,45H,5-6,10,12-13H2,(H4-,31,32,33,40,41,43,44)/p+1/b18-11-/t24-,28-/m1/s1