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

Systemtic Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[[(4-tert-butylthiazol-2-yl)-phenethyl-amino]methyl]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-[[(4-tert-butyl-2-thiazolyl)-phenethylamino]methyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-phenethylamino]methyl]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[[(4-tert-butylthiazol-2-yl)-phenethyl-amino]methyl]benzoyl]amino]-3-phenyl-propionic acid Formula: C32H35N3O3S MolecularWeight: 541.7036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C32H35N3O3S/c1-32(2,3)28-22-39-31(34-28)35(19-18-23-10-6-4-7-11-23)21-25-14-16-26(17-15-25)29(36)33-27(30(37)38)20-24-12-8-5-9-13-24/h4-17,22,27H,18-21H2,1-3H3,(H,33,36)(H,37,38)