2-[[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[[(5-methyl-4-phenyl-thiazol-2-yl)-phenethyl-amino]methyl]benzoyl]amino]propanoic acid CAS Name: 2-[[[4-[[(5-methyl-4-phenyl-2-thiazolyl)-phenethylamino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenethylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 2-[[4-[[(5-methyl-4-phenyl-thiazol-2-yl)-phenethyl-amino]methyl]benzoyl]amino]propionic acid Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NC(C)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(S1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NC(C)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C29H29N3O3S/c1-20(28(34)35)30-27(33)25-15-13-23(14-16-25)19-32(18-17-22-9-5-3-6-10-22)29-31-26(21(2)36-29)24-11-7-4-8-12-24/h3-16,20H,17-19H2,1-2H3,(H,30,33)(H,34,35)