(4R,5S,6S)-3-[(3S,5S)-5-(ethylcarbamoyl)-1,1-dimethyl-pyrrolidin-1-ium-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5S,6S)-3-[(3S,5S)-5-(ethylcarbamoyl)-1,1-dimethyl-pyrrolidin-1-ium-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6S)-3-[(3S,5S)-5-(ethylcarbamoyl)-1,1-dimethyl-pyrrolidin-1-ium-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6S)-3-[[(3S,5S)-5-(ethylcarbamoyl)-1,1-dimethyl-3-pyrrolidin-1-iumyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6S)-3-[(3S,5S)-5-(ethylcarbamoyl)-1,1-dimethylpyrrolidin-1-ium-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6S)-3-[[(3S,5S)-5-(ethylcarbamoyl)-1,1-dimethyl-pyrrolidin-1-ium-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(C[N+]1(C)C)SC2=C(N3C(C2C)C(C3=O)C(C)O)C(=O)O

Isomeric SMILES

CCNC(=O)[C@@H]1C[C@@H](C[N+]1(C)C)SC2=C(N3[C@H]([C@H]2C)[C@H](C3=O)[C@@H](C)O)C(=O)O

InChI

InChI=1S/C19H29N3O5S/c1-6-20-17(24)12-7-11(8-22(12,4)5)28-16-9(2)14-13(10(3)23)18(25)21(14)15(16)19(26)27/h9-14,23H,6-8H2,1-5H3,(H-,20,24,26,27)/p+1/t9-,10-,11+,12+,13-,14-/m1/s1