4-[[4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperazin-2-yl]carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperazin-2-yl]carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[[4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperazine-2-carbonyl]-methyl-amino]butanoic acid CAS Name: 4-[[[4-[(dipentylamino)-oxomethyl]-1-[oxo-(N-phenylanilino)methyl]-2-piperazinyl]-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[[4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperazine-2-carbonyl]-methylamino]butanoic acid Traditional Name: 4-[[4-(diamylcarbamoyl)-1-(diphenylcarbamoyl)piperazine-2-carbonyl]-methyl-amino]butyric acid Formula: C34H49N5O5 MolecularWeight: 607.78336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H49N5O5/c1-4-6-14-23-36(24-15-7-5-2)33(43)37-25-26-38(30(27-37)32(42)35(3)22-16-21-31(40)41)34(44)39(28-17-10-8-11-18-28)29-19-12-9-13-20-29/h8-13,17-20,30H,4-7,14-16,21-27H2,1-3H3,(H,40,41)