(3R)-N-[(1S)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-5-oxidanylidene-N-(phenylmethyl)thiolane-3-carboxamide

Systemtic Name: (3R)-N-[(1S)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-5-oxidanylidene-N-(phenylmethyl)thiolane-3-carboxamide Openeye Name: (3R)-N-benzyl-N-[(1S)-2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-5-oxo-tetrahydrothiophene-3-carboxamide CAS Name: (3R)-N-[(1S)-2-(tert-butylamino)-2-oxo-1-(3-pyridinyl)ethyl]-5-oxo-N-(phenylmethyl)-3-thiolanecarboxamide IUPAC Name: (3R)-N-benzyl-N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-5-oxothiolane-3-carboxamide Traditional Name: (3R)-N-benzyl-N-[(1S)-2-(tert-butylamino)-2-keto-1-(3-pyridyl)ethyl]-5-keto-tetrahydrothiophene-3-carboxamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CN=CC=C1)N(CC2=CC=CC=C2)C(=O)C3CC(=O)SC3

Isomeric SMILES

CC(C)(C)NC(=O)[C@H](C1=CN=CC=C1)N(CC2=CC=CC=C2)C(=O)[C@H]3CC(=O)SC3

InChI

InChI=1S/C23H27N3O3S/c1-23(2,3)25-21(28)20(17-10-7-11-24-13-17)26(14-16-8-5-4-6-9-16)22(29)18-12-19(27)30-15-18/h4-11,13,18,20H,12,14-15H2,1-3H3,(H,25,28)/t18-,20-/m0/s1