2-[[5-bromanyl-2-(2-cyclopentylethanoylamino)phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[5-bromanyl-2-(2-cyclopentylethanoylamino)phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[5-bromo-2-[(2-cyclopentylacetyl)amino]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[5-bromo-2-[(2-cyclopentyl-1-oxoethyl)amino]phenyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[5-bromo-2-[(2-cyclopentylacetyl)amino]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[5-bromo-2-[(2-cyclopentylacetyl)amino]benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C29H29BrN2O4 MolecularWeight: 549.45556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)NC2=C(C=C(C=C2)Br)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(C1)CC(=O)NC2=C(C=C(C=C2)Br)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H29BrN2O4/c30-23-14-15-25(31-27(33)17-19-6-4-5-7-19)24(18-23)28(34)32-26(29(35)36)16-20-10-12-22(13-11-20)21-8-2-1-3-9-21/h1-3,8-15,18-19,26H,4-7,16-17H2,(H,31,33)(H,32,34)(H,35,36)