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

Systemtic Name: [2-[3-fluoranyl-4-(3-methylbutanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl 2-azanyl-3-methyl-pentanoate Openeye Name: [2-[3-fluoro-4-(3-methylbutanoylamino)benzoyl]iminothiazol-3-yl]methyl 2-amino-3-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic acid [2-[[3-fluoro-4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]imino-3-thiazolyl]methyl ester IUPAC Name: [2-[3-fluoro-4-(3-methylbutanoylamino)benzoyl]imino-1,3-thiazol-3-yl]methyl 2-amino-3-methylpentanoate Traditional Name: 2-amino-3-methyl-valeric acid [2-[3-fluoro-4-(isovalerylamino)benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C22H29FN4O4S MolecularWeight: 464.553463

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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)F)N

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN4O4S/c1-5-14(4)19(24)21(30)31-12-27-8-9-32-22(27)26-20(29)15-6-7-17(16(23)11-15)25-18(28)10-13(2)3/h6-9,11,13-14,19H,5,10,12,24H2,1-4H3,(H,25,28)