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

Systemtic Name: 3-[[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(5-methyl-4-phenyl-thiazol-2-yl)-phenethyl-amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(5-methyl-4-phenyl-2-thiazolyl)-phenethylamino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenethylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[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)NCCC(=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)NCCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C29H29N3O3S/c1-21-27(24-10-6-3-7-11-24)31-29(36-21)32(19-17-22-8-4-2-5-9-22)20-23-12-14-25(15-13-23)28(35)30-18-16-26(33)34/h2-15H,16-20H2,1H3,(H,30,35)(H,33,34)