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

Systemtic Name: 2-[2-[2-butyl-3-[(4-phenylphenyl)methyl]imidazol-4-yl]ethanoyl-thiophen-2-yl-amino]propanoic acid Openeye Name: 2-[[2-[2-butyl-3-[(4-phenylphenyl)methyl]imidazol-4-yl]acetyl]-(2-thienyl)amino]propanoic acid CAS Name: 2-[[2-[2-butyl-3-[(4-phenylphenyl)methyl]-4-imidazolyl]-1-oxoethyl]-thiophen-2-ylamino]propanoic acid IUPAC Name: 2-[[2-[2-butyl-3-[(4-phenylphenyl)methyl]imidazol-4-yl]acetyl]-thiophen-2-ylamino]propanoic acid Traditional Name: 2-[[2-[2-butyl-3-(4-phenylbenzyl)imidazol-4-yl]acetyl]-(2-thienyl)amino]propionic acid Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)N(C4=CC=CS4)C(C)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)N(C4=CC=CS4)C(C)C(=O)O

InChI

InChI=1S/C29H31N3O3S/c1-3-4-11-26-30-19-25(18-27(33)32(21(2)29(34)35)28-12-8-17-36-28)31(26)20-22-13-15-24(16-14-22)23-9-6-5-7-10-23/h5-10,12-17,19,21H,3-4,11,18,20H2,1-2H3,(H,34,35)