3-[[4-[(4-cyclohexylphenyl)-(1H-indol-5-ylcarbamoylamino)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-cyclohexylphenyl)-(1H-indol-5-ylcarbamoylamino)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexylphenyl)-(1H-indol-5-ylcarbamoylamino)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexylphenyl)-[[(1H-indol-5-ylamino)-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexylphenyl)-(1H-indol-5-ylcarbamoylamino)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexylphenyl)-(1H-indol-5-ylcarbamoylamino)methyl]benzoyl]amino]propionic acid Formula: C32H34N4O4 MolecularWeight: 538.63676

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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=CC5=C(C=C4)NC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC5=C(C=C4)NC=C5

InChI

InChI=1S/C32H34N4O4/c37-29(38)17-19-34-31(39)25-12-10-24(11-13-25)30(23-8-6-22(7-9-23)21-4-2-1-3-5-21)36-32(40)35-27-14-15-28-26(20-27)16-18-33-28/h6-16,18,20-21,30,33H,1-5,17,19H2,(H,34,39)(H,37,38)(H2,35,36,40)