3-[[4-[(4-cyclohexylphenyl)-[(3-phenoxyphenyl)carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-cyclohexylphenyl)-[(3-phenoxyphenyl)carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexylphenyl)-[(3-phenoxyphenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexylphenyl)-[[oxo-(3-phenoxyanilino)methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexylphenyl)-[(3-phenoxyphenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexylphenyl)-[(3-phenoxyphenyl)carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C36H37N3O5 MolecularWeight: 591.69608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C36H37N3O5/c40-33(41)22-23-37-35(42)29-20-18-28(19-21-29)34(27-16-14-26(15-17-27)25-8-3-1-4-9-25)39-36(43)38-30-10-7-13-32(24-30)44-31-11-5-2-6-12-31/h2,5-7,10-21,24-25,34H,1,3-4,8-9,22-23H2,(H,37,42)(H,40,41)(H2,38,39,43)