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

Systemtic Name: 4-[2-(6-azanylhexanoylamino)-3-phenyl-propanoyl]-N-(phenylmethyl)piperazine-1-carboxamide Openeye Name: 4-[2-(6-aminohexanoylamino)-3-phenyl-propanoyl]-N-benzyl-piperazine-1-carboxamide CAS Name: 4-[2-[(6-amino-1-oxohexyl)amino]-1-oxo-3-phenylpropyl]-N-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-(6-aminohexanoylamino)-3-phenylpropanoyl]-N-benzylpiperazine-1-carboxamide Traditional Name: 4-[2-(6-aminohexanoylamino)-3-phenyl-propanoyl]-N-benzyl-piperazine-1-carboxamide Formula: C27H37N5O3 MolecularWeight: 479.61438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C(CC2=CC=CC=C2)NC(=O)CCCCCN)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C(CC2=CC=CC=C2)NC(=O)CCCCCN)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H37N5O3/c28-15-9-3-8-14-25(33)30-24(20-22-10-4-1-5-11-22)26(34)31-16-18-32(19-17-31)27(35)29-21-23-12-6-2-7-13-23/h1-2,4-7,10-13,24H,3,8-9,14-21,28H2,(H,29,35)(H,30,33)