3-[[4-[[(4-cyclohexylphenyl)-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-yl]carbonylamino]amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-cyclohexylphenyl)-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-yl]carbonylamino]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexyl-N-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]anilino)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexyl-N-[[oxo-[5-[(2,4,6-trimethylphenyl)methyl]-2-furanyl]methyl]amino]anilino)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexyl-N-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]anilino)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexyl-N-[[5-(2,4,6-trimethylbenzyl)-2-furoyl]amino]anilino)methyl]benzoyl]amino]propionic acid Formula: C38H43N3O5 MolecularWeight: 621.76512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CC2=CC=C(O2)C(=O)NN(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=CC=C(C=C4)C5CCCCC5)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC2=CC=C(O2)C(=O)NN(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=CC=C(C=C4)C5CCCCC5)C

InChI

InChI=1S/C38H43N3O5/c1-25-21-26(2)34(27(3)22-25)23-33-17-18-35(46-33)38(45)40-41(32-15-13-30(14-16-32)29-7-5-4-6-8-29)24-28-9-11-31(12-10-28)37(44)39-20-19-36(42)43/h9-18,21-22,29H,4-8,19-20,23-24H2,1-3H3,(H,39,44)(H,40,45)(H,42,43)