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

Systemtic Name: 2-[2-[2-[(4-tert-butylphenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[2-[(4-tert-butylbenzoyl)amino]thiazol-4-yl]acetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-thiazolyl]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[2-[(4-tert-butylbenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[2-[(4-tert-butylbenzoyl)amino]thiazol-4-yl]acetyl]amino]-4-methyl-valeric acid Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-13(2)10-17(20(28)29)24-18(26)11-16-12-30-21(23-16)25-19(27)14-6-8-15(9-7-14)22(3,4)5/h6-9,12-13,17H,10-11H2,1-5H3,(H,24,26)(H,28,29)(H,23,25,27)