N-[(2R)-3-(acetamidomethylsulfanyl)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[(2R)-3-(acetamidomethylsulfanyl)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[(1R)-2-(acetamidomethylsulfanyl)-1-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methyl-propyl]-2-methoxy-benzamide CAS Name: N-[(2R)-3-(acetamidomethylthio)-1-[(2S)-2-cyano-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[(2R)-3-(acetamidomethylsulfanyl)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[(1R)-2-(acetamidomethylthio)-1-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methyl-propyl]-2-methoxy-benzamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSC(C)(C)C(C(=O)N1CCCC1C#N)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC(=O)NCSC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C#N)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H28N4O4S/c1-14(26)23-13-30-21(2,3)18(20(28)25-11-7-8-15(25)12-22)24-19(27)16-9-5-6-10-17(16)29-4/h5-6,9-10,15,18H,7-8,11,13H2,1-4H3,(H,23,26)(H,24,27)/t15-,18+/m0/s1