tert-butyl 4-[[4-[4-[(1-cyanocyclopropyl)carbamoyl-(3-methylbutyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[4-[(1-cyanocyclopropyl)carbamoyl-(3-methylbutyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[4-[(1-cyanocyclopropyl)carbamoyl-isopentyl-carbamoyl]phenyl]thiazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[4-[[[[(1-cyanocyclopropyl)amino]-oxomethyl]-(3-methylbutyl)amino]-oxomethyl]phenyl]-2-thiazolyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[4-[(1-cyanocyclopropyl)carbamoyl-(3-methylbutyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-[4-[(1-cyanocyclopropyl)carbamoyl-isoamyl-carbamoyl]phenyl]thiazol-2-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H40N6O4S MolecularWeight: 580.7414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)C1=CC=C(C=C1)C2=CSC(=N2)CN3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NC4(CC4)C#N

Isomeric SMILES

CC(C)CCN(C(=O)C1=CC=C(C=C1)C2=CSC(=N2)CN3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NC4(CC4)C#N

InChI

InChI=1S/C30H40N6O4S/c1-21(2)10-13-36(27(38)33-30(20-31)11-12-30)26(37)23-8-6-22(7-9-23)24-19-41-25(32-24)18-34-14-16-35(17-15-34)28(39)40-29(3,4)5/h6-9,19,21H,10-18H2,1-5H3,(H,33,38)