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

Systemtic Name: [2-[4-(3,3-dimethylbutanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl 2-azanyl-3-methyl-pentanoate Openeye Name: [2-[4-(3,3-dimethylbutanoylamino)benzoyl]iminothiazol-3-yl]methyl 2-amino-3-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic 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-methylpentanoate Traditional Name: 2-amino-3-methyl-valeric acid [2-[4-(3,3-dimethylbutanoylamino)benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C23H32N4O4S MolecularWeight: 460.58958

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O4S/c1-6-15(2)19(24)21(30)31-14-27-11-12-32-22(27)26-20(29)16-7-9-17(10-8-16)25-18(28)13-23(3,4)5/h7-12,15,19H,6,13-14,24H2,1-5H3,(H,25,28)