3-[[4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperazin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperazin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperazine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-[(dipentylamino)-oxomethyl]-1-[oxo-(N-phenylanilino)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperazine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[4-(diamylcarbamoyl)-1-(diphenylcarbamoyl)piperazine-2-carbonyl]amino]propionic acid Formula: C32H45N5O5 MolecularWeight: 579.7302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)N1CCN(C(C1)C(=O)NCCC(=O)O)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCN(CCCCC)C(=O)N1CCN(C(C1)C(=O)NCCC(=O)O)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C32H45N5O5/c1-3-5-13-21-34(22-14-6-4-2)31(41)35-23-24-36(28(25-35)30(40)33-20-19-29(38)39)32(42)37(26-15-9-7-10-16-26)27-17-11-8-12-18-27/h7-12,15-18,28H,3-6,13-14,19-25H2,1-2H3,(H,33,40)(H,38,39)