3-[[4-[[(4-cyclohexylphenyl)-[(3-iodanylphenyl)carbamoyl]amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-cyclohexylphenyl)-[(3-iodanylphenyl)carbamoyl]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[4-cyclohexyl-N-[(3-iodophenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexyl-N-[(3-iodoanilino)-oxomethyl]anilino)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[4-cyclohexyl-N-[(3-iodophenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[4-cyclohexyl-N-[(3-iodophenyl)carbamoyl]anilino]methyl]benzoyl]amino]propionic acid Formula: C30H32IN3O4 MolecularWeight: 625.49725

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C(=O)NC4=CC(=CC=C4)I

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C(=O)NC4=CC(=CC=C4)I

InChI

InChI=1S/C30H32IN3O4/c31-25-7-4-8-26(19-25)33-30(38)34(27-15-13-23(14-16-27)22-5-2-1-3-6-22)20-21-9-11-24(12-10-21)29(37)32-18-17-28(35)36/h4,7-16,19,22H,1-3,5-6,17-18,20H2,(H,32,37)(H,33,38)(H,35,36)