tert-butyl N-[(2R)-3-(acetamidomethylsulfanyl)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-3-(acetamidomethylsulfanyl)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-(acetamidomethylsulfanyl)-1-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate CAS Name: N-[(2R)-3-(acetamidomethylthio)-1-[(2S)-2-cyano-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-3-(acetamidomethylsulfanyl)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1R)-2-(acetamidomethylthio)-1-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C18H30N4O4S MolecularWeight: 398.5202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSC(C)(C)C(C(=O)N1CCCC1C#N)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O4S/c1-12(23)20-11-27-18(5,6)14(21-16(25)26-17(2,3)4)15(24)22-9-7-8-13(22)10-19/h13-14H,7-9,11H2,1-6H3,(H,20,23)(H,21,25)/t13-,14+/m0/s1