(2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-pyrrolidin-1-ylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-pyrrolidin-1-ylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-pyrrolidin-1-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-pyrrolidin-1-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-7-keto-3,3-dimethyl-6-[(2-pyrrolidinoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CN3CCCC3)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CN3CCCC3)C(=O)O)C

InChI

InChI=1S/C14H21N3O4S/c1-14(2)10(13(20)21)17-11(19)9(12(17)22-14)15-8(18)7-16-5-3-4-6-16/h9-10,12H,3-7H2,1-2H3,(H,15,18)(H,20,21)/t9-,10+,12-/m1/s1