(4R)-3-[(3S,5R)-5-[[5-(2-azanylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methyl]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-[(3S,5R)-5-[[5-(2-azanylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methyl]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-[(3S,5R)-5-[[5-(2-aminoethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methyl]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-[[(3S,5R)-5-[[5-[(2-aminoethylamino)-oxomethyl]-1,2,4-oxadiazol-3-yl]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)-3-[(3S,5R)-5-[[5-(2-aminoethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methyl]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-[[(3S,5R)-5-[[5-(2-aminoethylcarbamoyl)-1,2,4-oxadiazol-3-yl]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: C20H28N6O6S MolecularWeight: 480.53792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CC4=NOC(=N4)C(=O)NCCN)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1C2C(C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CC4=NOC(=N4)C(=O)NCCN)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C20H28N6O6S/c1-8-14-13(9(2)27)19(29)26(14)15(20(30)31)16(8)33-11-5-10(23-7-11)6-12-24-18(32-25-12)17(28)22-4-3-21/h8-11,13-14,23,27H,3-7,21H2,1-2H3,(H,22,28)(H,30,31)/t8-,9-,10+,11+,13?,14?/m1/s1