5-azanyl-2-(3-azanylpropylamino)-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]pentanamide

Systemtic Name: 5-azanyl-2-(3-azanylpropylamino)-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]pentanamide Openeye Name: 5-amino-2-(3-aminopropylamino)-N-[2-(3,4-dihydroxyphenyl)ethyl]pentanamide CAS Name: 5-amino-2-(3-aminopropylamino)-N-[2-(3,4-dihydroxyphenyl)ethyl]pentanamide IUPAC Name: 5-amino-2-(3-aminopropylamino)-N-[2-(3,4-dihydroxyphenyl)ethyl]pentanamide Traditional Name: 5-amino-2-(3-aminopropylamino)-N-[2-(3,4-dihydroxyphenyl)ethyl]valeramide Formula: C16H28N4O3 MolecularWeight: 324.41852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCNC(=O)C(CCCN)NCCCN)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCNC(=O)C(CCCN)NCCCN)O)O

InChI

InChI=1S/C16H28N4O3/c17-7-1-3-13(19-9-2-8-18)16(23)20-10-6-12-4-5-14(21)15(22)11-12/h4-5,11,13,19,21-22H,1-3,6-10,17-18H2,(H,20,23)