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

Systemtic Name: (4R,5S,6S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(3S,5S)-5-[(pyridin-3-ylcarbonylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(pyridine-3-carbonylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S,5S)-5-[[[oxo(3-pyridinyl)methyl]amino]methyl]-3-pyrrolidinyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(pyridine-3-carbonylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-3-[[(3S,5S)-5-(nicotinamidomethyl)pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CNC(=O)C4=CN=CC=C4)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNC(=O)C4=CN=CC=C4)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C21H26N4O5S/c1-10-16-15(11(2)26)20(28)25(16)17(21(29)30)18(10)31-14-6-13(23-9-14)8-24-19(27)12-4-3-5-22-7-12/h3-5,7,10-11,13-16,23,26H,6,8-9H2,1-2H3,(H,24,27)(H,29,30)/t10-,11-,13+,14+,15-,16-/m1/s1