N-(5-azanylpentyl)-N'-[5-[[4-[(4-cyano-4-phenylmethoxy-butyl)amino]-4-oxidanylidene-butanoyl]amino]pentyl]butanediamide

Systemtic Name: N-(5-azanylpentyl)-N'-[5-[[4-[(4-cyano-4-phenylmethoxy-butyl)amino]-4-oxidanylidene-butanoyl]amino]pentyl]butanediamide Openeye Name: N-(5-aminopentyl)-N'-[5-[[4-[(4-benzyloxy-4-cyano-butyl)amino]-4-oxo-butanoyl]amino]pentyl]butanediamide CAS Name: N-(5-aminopentyl)-N'-[5-[[4-[(4-cyano-4-phenylmethoxybutyl)amino]-1,4-dioxobutyl]amino]pentyl]butanediamide IUPAC Name: N-(5-aminopentyl)-N'-[5-[[4-[(4-cyano-4-phenylmethoxybutyl)amino]-4-oxobutanoyl]amino]pentyl]butanediamide Traditional Name: N-(5-aminopentyl)-N'-[5-[[4-[(4-benzoxy-4-cyano-butyl)amino]-4-keto-butanoyl]amino]pentyl]succinamide Formula: C30H48N6O5 MolecularWeight: 572.73932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(CCCNC(=O)CCC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCN)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(CCCNC(=O)CCC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCN)C#N

InChI

InChI=1S/C30H48N6O5/c31-18-6-2-7-19-33-27(37)14-15-28(38)34-20-8-3-9-21-35-29(39)16-17-30(40)36-22-10-13-26(23-32)41-24-25-11-4-1-5-12-25/h1,4-5,11-12,26H,2-3,6-10,13-22,24,31H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)