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

Systemtic Name: [2-[4-(3,3-dimethylbutanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl 2-azanyl-3-methyl-butanoate Openeye Name: [2-[4-(3,3-dimethylbutanoylamino)benzoyl]iminothiazol-3-yl]methyl 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [2-[[4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]-oxomethyl]imino-3-thiazolyl]methyl ester IUPAC Name: [2-[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-[4-(3,3-dimethylbutanoylamino)benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C22H30N4O4S MolecularWeight: 446.563

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4S/c1-14(2)18(23)20(29)30-13-26-10-11-31-21(26)25-19(28)15-6-8-16(9-7-15)24-17(27)12-22(3,4)5/h6-11,14,18H,12-13,23H2,1-5H3,(H,24,27)