(3-oxidanylidene-4,5,6,7-tetrahydro-1H-2-benzofuran-1-yl) (2S,5R,6R)-6-[[(2R)-2-azanyl-2-cyclohexyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (3-oxidanylidene-4,5,6,7-tetrahydro-1H-2-benzofuran-1-yl) (2S,5R,6R)-6-[[(2R)-2-azanyl-2-cyclohexyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (3-oxo-4,5,6,7-tetrahydro-1H-isobenzofuran-1-yl) (2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexyl-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (3-oxo-4,5,6,7-tetrahydro-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-4,5,6,7-tetrahydro-1H-2-benzofuran-1-yl) (2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (3-keto-4,5,6,7-tetrahydro-1H-isobenzofuran-1-yl) ester Formula: C24H33N3O6S MolecularWeight: 491.60032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3CCCCC3)N)C(=O)OC4C5=C(CCCC5)C(=O)O4)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3CCCCC3)N)C(=O)OC4C5=C(CCCC5)C(=O)O4)C

InChI

InChI=1S/C24H33N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h12,15-17,20,23H,3-11,25H2,1-2H3,(H,26,28)/t15-,16-,17+,20-,23?/m1/s1