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

Systemtic Name: 3-[[4-[[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-(phenylmethyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[benzyl-[4-(3,4-dichlorophenyl)thiazol-2-yl]amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[4-(3,4-dichlorophenyl)-2-thiazolyl]-(phenylmethyl)amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[benzyl-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[benzyl-[4-(3,4-dichlorophenyl)thiazol-2-yl]amino]methyl]benzoyl]amino]propionic acid Formula: C27H23Cl2N3O3S MolecularWeight: 540.46082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C3=NC(=CS3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C3=NC(=CS3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H23Cl2N3O3S/c28-22-11-10-21(14-23(22)29)24-17-36-27(31-24)32(15-18-4-2-1-3-5-18)16-19-6-8-20(9-7-19)26(35)30-13-12-25(33)34/h1-11,14,17H,12-13,15-16H2,(H,30,35)(H,33,34)