3-[[4-[[2-phenylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[2-phenylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-isopropylphenyl)carbamoyl-(2-phenylpropyl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[[[oxo-(4-propan-2-ylanilino)methyl]-(2-phenylpropyl)amino]methyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[[2-phenylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[p-cumenylcarbamoyl(2-phenylpropyl)amino]methyl]benzoyl]amino]propionic acid Formula: C30H35N3O4 MolecularWeight: 501.6166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)CC(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)CC(C)C3=CC=CC=C3

InChI

InChI=1S/C30H35N3O4/c1-21(2)24-13-15-27(16-14-24)32-30(37)33(19-22(3)25-7-5-4-6-8-25)20-23-9-11-26(12-10-23)29(36)31-18-17-28(34)35/h4-16,21-22H,17-20H2,1-3H3,(H,31,36)(H,32,37)(H,34,35)