2-[2-[2-[(4-tert-butylphenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[2-[(4-tert-butylphenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[2-[(4-tert-butylbenzoyl)amino]thiazol-4-yl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-thiazolyl]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[2-[(4-tert-butylbenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[2-[(4-tert-butylbenzoyl)amino]thiazol-4-yl]acetyl]amino]-3-methyl-butyric acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H27N3O4S/c1-12(2)17(19(27)28)23-16(25)10-15-11-29-20(22-15)24-18(26)13-6-8-14(9-7-13)21(3,4)5/h6-9,11-12,17H,10H2,1-5H3,(H,23,25)(H,27,28)(H,22,24,26)