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

Systemtic Name: 2-[2-[2-[(4-tert-butylphenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[2-[(4-tert-butylbenzoyl)amino]thiazol-4-yl]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-thiazolyl]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[2-[(4-tert-butylbenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[2-[(4-tert-butylbenzoyl)amino]thiazol-4-yl]acetyl]amino]-3-phenyl-propionic acid Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H27N3O4S/c1-25(2,3)18-11-9-17(10-12-18)22(30)28-24-26-19(15-33-24)14-21(29)27-20(23(31)32)13-16-7-5-4-6-8-16/h4-12,15,20H,13-14H2,1-3H3,(H,27,29)(H,31,32)(H,26,28,30)