4-[2-(6-azanylhexanoylamino)-3-phenyl-propanoyl]-N-butyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-(6-azanylhexanoylamino)-3-phenyl-propanoyl]-N-butyl-piperazine-1-carboxamide Openeye Name: 4-[2-(6-aminohexanoylamino)-3-phenyl-propanoyl]-N-butyl-piperazine-1-carboxamide CAS Name: 4-[2-[(6-amino-1-oxohexyl)amino]-1-oxo-3-phenylpropyl]-N-butyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(6-aminohexanoylamino)-3-phenylpropanoyl]-N-butylpiperazine-1-carboxamide Traditional Name: 4-[2-(6-aminohexanoylamino)-3-phenyl-propanoyl]-N-butyl-piperazine-1-carboxamide Formula: C24H39N5O3 MolecularWeight: 445.59816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)CCCCCN

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)CCCCCN

InChI

InChI=1S/C24H39N5O3/c1-2-3-14-26-24(32)29-17-15-28(16-18-29)23(31)21(19-20-10-6-4-7-11-20)27-22(30)12-8-5-9-13-25/h4,6-7,10-11,21H,2-3,5,8-9,12-19,25H2,1H3,(H,26,32)(H,27,30)