3,3-dimethyl-6-[2-[[2-(2-morpholin-4-ylethylamino)-2-oxidanylidene-ethyl]-(phenylmethyl)amino]-1-oxidanyl-2-oxidanylidene-ethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-6-[2-[[2-(2-morpholin-4-ylethylamino)-2-oxidanylidene-ethyl]-(phenylmethyl)amino]-1-oxidanyl-2-oxidanylidene-ethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[2-[benzyl-[2-(2-morpholinoethylamino)-2-oxo-ethyl]amino]-1-hydroxy-2-oxo-ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[1-hydroxy-2-[[2-[2-(4-morpholinyl)ethylamino]-2-oxoethyl]-(phenylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[2-[benzyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[2-[benzyl-[2-keto-2-(2-morpholinoethylamino)ethyl]amino]-1-hydroxy-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C25H34N4O7S MolecularWeight: 534.62506

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C(C(=O)N(CC3=CC=CC=C3)CC(=O)NCCN4CCOCC4)O)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(C(=O)N(CC3=CC=CC=C3)CC(=O)NCCN4CCOCC4)O)C(=O)O)C

InChI

InChI=1S/C25H34N4O7S/c1-25(2)20(24(34)35)29-21(32)18(23(29)37-25)19(31)22(33)28(14-16-6-4-3-5-7-16)15-17(30)26-8-9-27-10-12-36-13-11-27/h3-7,18-20,23,31H,8-15H2,1-2H3,(H,26,30)(H,34,35)