2-[(2R)-2-azanyl-3-(2-cyanopyrrolidin-1-yl)-3-oxidanylidene-propyl]sulfanyl-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-2-azanyl-3-(2-cyanopyrrolidin-1-yl)-3-oxidanylidene-propyl]sulfanyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(2R)-2-amino-3-(2-cyanopyrrolidin-1-yl)-3-oxo-propyl]sulfanyl-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[(2R)-2-amino-3-(2-cyano-1-pyrrolidinyl)-3-oxopropyl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(2R)-2-amino-3-(2-cyanopyrrolidin-1-yl)-3-oxopropyl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[(2R)-2-amino-3-(2-cyanopyrrolidino)-3-keto-propyl]thio]-N-(3-pyridylmethyl)acetamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CSCC(=O)NCC2=CN=CC=C2)N)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)[C@H](CSCC(=O)NCC2=CN=CC=C2)N)C#N

InChI

InChI=1S/C16H21N5O2S/c17-7-13-4-2-6-21(13)16(23)14(18)10-24-11-15(22)20-9-12-3-1-5-19-8-12/h1,3,5,8,13-14H,2,4,6,9-11,18H2,(H,20,22)/t13?,14-/m0/s1