(2S,5R,6R)-3,3-dimethyl-4,4,7-tris(oxidanylidene)-6-[2-(phenylmethoxycarbonylamino)ethylsulfonylamino]-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R,6R)-3,3-dimethyl-4,4,7-tris(oxidanylidene)-6-[2-(phenylmethoxycarbonylamino)ethylsulfonylamino]-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-6-[2-(benzyloxycarbonylamino)ethylsulfonylamino]-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-3,3-dimethyl-4,4,7-trioxo-6-[2-(phenylmethoxycarbonylamino)ethylsulfonylamino]-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-3,3-dimethyl-4,4,7-trioxo-6-[2-(phenylmethoxycarbonylamino)ethylsulfonylamino]-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-6-[2-(benzyloxycarbonylamino)ethylsulfonylamino]-4,4,7-triketo-3,3-dimethyl-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H23N3O9S2 MolecularWeight: 489.51992

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1(=O)=O)C(C2=O)NS(=O)(=O)CCNC(=O)OCC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1(=O)=O)[C@@H](C2=O)NS(=O)(=O)CCNC(=O)OCC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C18H23N3O9S2/c1-18(2)13(16(23)24)21-14(22)12(15(21)32(18,28)29)20-31(26,27)9-8-19-17(25)30-10-11-6-4-3-5-7-11/h3-7,12-13,15,20H,8-10H2,1-2H3,(H,19,25)(H,23,24)/t12-,13+,15-/m1/s1