2-[[3-[(2-chlorophenyl)methyl]-2-heptylsulfanyl-imidazol-4-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-heptylsulfanyl-imidazol-4-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-2-heptylsulfanyl-imidazole-4-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[3-[(2-chlorophenyl)methyl]-2-(heptylthio)-4-imidazolyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-2-heptylsulfanylimidazole-4-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(2-chlorobenzyl)-2-(heptylthio)imidazole-4-carbonyl]amino]-3-phenyl-propionic acid Formula: C27H32ClN3O3S MolecularWeight: 514.07928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H32ClN3O3S/c1-2-3-4-5-11-16-35-27-29-18-24(31(27)19-21-14-9-10-15-22(21)28)25(32)30-23(26(33)34)17-20-12-7-6-8-13-20/h6-10,12-15,18,23H,2-5,11,16-17,19H2,1H3,(H,30,32)(H,33,34)