3-[[4-[3-ethyl-1-[(4-methylphenyl)carbamoylamino]heptyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[3-ethyl-1-[(4-methylphenyl)carbamoylamino]heptyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[3-ethyl-1-(p-tolylcarbamoylamino)heptyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[3-ethyl-1-[[(4-methylanilino)-oxomethyl]amino]heptyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[3-ethyl-1-[(4-methylphenyl)carbamoylamino]heptyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[3-ethyl-1-(p-tolylcarbamoylamino)heptyl]benzoyl]amino]propionic acid Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)NC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(CC)CC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)NC(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C27H37N3O4/c1-4-6-7-20(5-2)18-24(30-27(34)29-23-14-8-19(3)9-15-23)21-10-12-22(13-11-21)26(33)28-17-16-25(31)32/h8-15,20,24H,4-7,16-18H2,1-3H3,(H,28,33)(H,31,32)(H2,29,30,34)