dipotassium (4R,5S,6S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(3S,5S)-5-[(3-sulfonatophenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: dipotassium (4R,5S,6S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(3S,5S)-5-[(3-sulfonatophenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: dipotassium (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(3-sulfonatophenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: dipotassium (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S,5S)-5-[oxo-(3-sulfonatoanilino)methyl]-3-pyrrolidinyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: dipotassium (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(3-sulfonatophenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: dipotassium (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-3-[[(3S,5S)-5-[(3-sulfonatophenyl)carbamoyl]pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C21H23K2N3O8S2 MolecularWeight: 587.74922

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)[O-])C(=O)[O-])C(C)O.[K+].[K+]

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)[O-])C(=O)[O-])[C@@H](C)O.[K+].[K+]

InChI

InChI=1S/C21H25N3O8S2.2K/c1-9-16-15(10(2)25)20(27)24(16)17(21(28)29)18(9)33-12-7-14(22-8-12)19(26)23-11-4-3-5-13(6-11)34(30,31)32;;/h3-6,9-10,12,14-16,22,25H,7-8H2,1-2H3,(H,23,26)(H,28,29)(H,30,31,32);;/q;2*+1/p-2/t9-,10-,12+,14+,15-,16-;;/m1../s1