(4R,6S)-3-[(3S,5S)-5-[[2-(2-hydroxyethylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]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-(2-hydroxyethylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]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)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[[2-(2-hydroxyethylamino)-2-oxo-ethyl]sulfanylmethyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[(3S,5S)-5-[[[2-(2-hydroxyethylamino)-2-oxoethyl]thio]methyl]-3-pyrrolidinyl]thio]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylmethyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[(3S,5S)-5-[[[2-(2-hydroxyethylamino)-2-keto-ethyl]thio]methyl]pyrrolidin-3-yl]thio]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H29N3O6S2 MolecularWeight: 459.58006

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CSCC(=O)NCCO)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1C2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CSCC(=O)NCCO)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C19H29N3O6S2/c1-9-15-14(10(2)24)18(26)22(15)16(19(27)28)17(9)30-12-5-11(21-6-12)7-29-8-13(25)20-3-4-23/h9-12,14-15,21,23-24H,3-8H2,1-2H3,(H,20,25)(H,27,28)/t9-,10-,11+,12+,14-,15?/m1/s1