2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]carbonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazole-4-carbonyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazole-4-carbonyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[3-(2-chlorobenzyl)-2-(propylthio)imidazole-4-carbonyl]amino]-3-methyl-valeric acid Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C(=O)NC(C(C)CC)C(=O)O

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C(=O)NC(C(C)CC)C(=O)O

InChI

InChI=1S/C20H26ClN3O3S/c1-4-10-28-20-22-11-16(18(25)23-17(19(26)27)13(3)5-2)24(20)12-14-8-6-7-9-15(14)21/h6-9,11,13,17H,4-5,10,12H2,1-3H3,(H,23,25)(H,26,27)