2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-ethyl-amino]methyl]phenyl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-ethyl-amino]methyl]phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-[[(4-tert-butylthiazol-2-yl)-ethyl-amino]methyl]benzoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-[[(4-tert-butyl-2-thiazolyl)-ethylamino]methyl]phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-ethylamino]methyl]benzoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-[[(4-tert-butylthiazol-2-yl)-ethyl-amino]methyl]benzoyl]amino]-3-methyl-butyric acid Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)O)C2=NC(=CS2)C(C)(C)C

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)O)C2=NC(=CS2)C(C)(C)C

InChI

InChI=1S/C22H31N3O3S/c1-7-25(21-23-17(13-29-21)22(4,5)6)12-15-8-10-16(11-9-15)19(26)24-18(14(2)3)20(27)28/h8-11,13-14,18H,7,12H2,1-6H3,(H,24,26)(H,27,28)