(4R,6S)-3-[(3S,5S)-5-(2-aminocarbonyloxyethylsulfanylmethyl)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,6S)-3-[(3S,5S)-5-(2-aminocarbonyloxyethylsulfanylmethyl)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,6S)-3-[(3S,5S)-5-(2-carbamoyloxyethylsulfanylmethyl)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,6S)-3-[[(3S,5S)-5-[(2-carbamoyloxyethylthio)methyl]-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,6S)-3-[(3S,5S)-5-(2-carbamoyloxyethylsulfanylmethyl)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,6S)-3-[[(3S,5S)-5-[(2-carbamoyloxyethylthio)methyl]pyrrolidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H27N3O6S2 MolecularWeight: 445.55348

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CSCCOC(=O)N)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1C2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CSCCOC(=O)N)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C18H27N3O6S2/c1-8-13-12(9(2)22)16(23)21(13)14(17(24)25)15(8)29-11-5-10(20-6-11)7-28-4-3-27-18(19)26/h8-13,20,22H,3-7H2,1-2H3,(H2,19,26)(H,24,25)/t8-,9-,10+,11+,12-,13?/m1/s1