(4R)-3-[(5S)-5-(4-aminocarbonyl-1,3-thiazinan-2-yl)pyrrolidin-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)-3-[(5S)-5-(4-aminocarbonyl-1,3-thiazinan-2-yl)pyrrolidin-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)-3-[(5S)-5-(4-carbamoyl-1,3-thiazinan-2-yl)pyrrolidin-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)-3-[[(5S)-5-(4-carbamoyl-1,3-thiazinan-2-yl)-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R)-3-[(5S)-5-(4-carbamoyl-1,3-thiazinan-2-yl)pyrrolidin-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)-3-[[(5S)-5-(4-carbamoyl-1,3-thiazinan-2-yl)pyrrolidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H28N4O5S2 MolecularWeight: 456.57942

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4NC(CCS4)C(=O)N)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1C2C(C(=O)N2C(=C1SC3C[C@H](NC3)C4NC(CCS4)C(=O)N)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C19H28N4O5S2/c1-7-13-12(8(2)24)18(26)23(13)14(19(27)28)15(7)30-9-5-11(21-6-9)17-22-10(16(20)25)3-4-29-17/h7-13,17,21-22,24H,3-6H2,1-2H3,(H2,20,25)(H,27,28)/t7-,8-,9?,10?,11+,12?,13?,17?/m1/s1