(2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide

Systemtic Name: (2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide Openeye Name: (2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide CAS Name: (2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide IUPAC Name: (2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide Traditional Name: (2S,5R,6R)-N-[3-(dimethylamino)propyl]-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)NCCCN(C)C)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)NCCCN(C)C)C

InChI

InChI=1S/C21H30N4O3S/c1-21(2)17(18(27)22-11-8-12-24(3)4)25-19(28)16(20(25)29-21)23-15(26)13-14-9-6-5-7-10-14/h5-7,9-10,16-17,20H,8,11-13H2,1-4H3,(H,22,27)(H,23,26)/t16-,17+,20-/m1/s1