[2-[3-bromanyl-4-(3,3-dimethylbutanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl 2-azanyl-3-methyl-butanoate

Systemtic Name: [2-[3-bromanyl-4-(3,3-dimethylbutanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl 2-azanyl-3-methyl-butanoate Openeye Name: [2-[3-bromo-4-(3,3-dimethylbutanoylamino)benzoyl]iminothiazol-3-yl]methyl 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [2-[[3-bromo-4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]-oxomethyl]imino-3-thiazolyl]methyl ester IUPAC Name: [2-[3-bromo-4-(3,3-dimethylbutanoylamino)benzoyl]imino-1,3-thiazol-3-yl]methyl 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [2-[3-bromo-4-(3,3-dimethylbutanoylamino)benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C22H29BrN4O4S MolecularWeight: 525.45906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCN1C=CSC1=NC(=O)C2=CC(=C(C=C2)NC(=O)CC(C)(C)C)Br)N

Isomeric SMILES

CC(C)C(C(=O)OCN1C=CSC1=NC(=O)C2=CC(=C(C=C2)NC(=O)CC(C)(C)C)Br)N

InChI

InChI=1S/C22H29BrN4O4S/c1-13(2)18(24)20(30)31-12-27-8-9-32-21(27)26-19(29)14-6-7-16(15(23)10-14)25-17(28)11-22(3,4)5/h6-10,13,18H,11-12,24H2,1-5H3,(H,25,28)