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

Systemtic Name: [2-[3-bromanyl-4-(3,3-dimethylbutanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl 2-azanyl-3-methyl-pentanoate Openeye Name: [2-[3-bromo-4-(3,3-dimethylbutanoylamino)benzoyl]iminothiazol-3-yl]methyl 2-amino-3-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic 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-methylpentanoate Traditional Name: 2-amino-3-methyl-valeric acid [2-[3-bromo-4-(3,3-dimethylbutanoylamino)benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C23H31BrN4O4S MolecularWeight: 539.48564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31BrN4O4S/c1-6-14(2)19(25)21(31)32-13-28-9-10-33-22(28)27-20(30)15-7-8-17(16(24)11-15)26-18(29)12-23(3,4)5/h7-11,14,19H,6,12-13,25H2,1-5H3,(H,26,29)