2-[2-[2-butyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]ethanoyl-thiophen-2-yl-amino]propanoic acid

Systemtic Name: 2-[2-[2-butyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]ethanoyl-thiophen-2-yl-amino]propanoic acid Openeye Name: 2-[[2-[2-butyl-3-(o-tolylmethyl)imidazol-4-yl]acetyl]-(2-thienyl)amino]propanoic acid CAS Name: 2-[[2-[2-butyl-3-[(2-methylphenyl)methyl]-4-imidazolyl]-1-oxoethyl]-thiophen-2-ylamino]propanoic acid IUPAC Name: 2-[[2-[2-butyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]acetyl]-thiophen-2-ylamino]propanoic acid Traditional Name: 2-[[2-[2-butyl-3-(2-methylbenzyl)imidazol-4-yl]acetyl]-(2-thienyl)amino]propionic acid Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2C)CC(=O)N(C3=CC=CS3)C(C)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2C)CC(=O)N(C3=CC=CS3)C(C)C(=O)O

InChI

InChI=1S/C24H29N3O3S/c1-4-5-11-21-25-15-20(26(21)16-19-10-7-6-9-17(19)2)14-22(28)27(18(3)24(29)30)23-12-8-13-31-23/h6-10,12-13,15,18H,4-5,11,14,16H2,1-3H3,(H,29,30)