3,3-dimethyl-2-[[2-[(phenylmethyl)carbamoylamino]-1,3-thiazol-4-yl]carbonylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[[2-[(phenylmethyl)carbamoylamino]-1,3-thiazol-4-yl]carbonylamino]butanoic acid Openeye Name: 2-[[2-(benzylcarbamoylamino)thiazole-4-carbonyl]amino]-3,3-dimethyl-butanoic acid CAS Name: 3,3-dimethyl-2-[[oxo-[2-[[oxo-[(phenylmethyl)amino]methyl]amino]-4-thiazolyl]methyl]amino]butanoic acid IUPAC Name: 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[2-(benzylcarbamoylamino)thiazole-4-carbonyl]amino]-3,3-dimethyl-butyric acid Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)C1=CSC(=N1)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)C1=CSC(=N1)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H22N4O4S/c1-18(2,3)13(15(24)25)21-14(23)12-10-27-17(20-12)22-16(26)19-9-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3,(H,21,23)(H,24,25)(H2,19,20,22,26)