N-[4-(3-aminopropyl)aminobutyl]-2-(9-guanidino-2-nonenamido)-2-hydroxyethanamide

HCID 178512796

Basic information

Standard SMILES
N=C(N)NCCCCCCC=CC(=O)NC(O)C(=O)NCCCCNCCCN
InChIKey
RUBRRBVSGJKUET-UHFFFAOYSA-N
Molecular formula
C19H39N7O3
Average molar mass
413.6 g/mol
Monoisotopic mass
413.31143813

Names & identifiers

Preferred name
N-[4-(3-aminopropyl)aminobutyl]-2-(9-guanidino-2-nonenamido)-2-hydroxyethanamide
IUPAC
N-[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-9-(diaminomethylideneamino)non-2-enamide

Names & synonyms

SCHEMBL9772210RUBRRBVSGJKUET-UHFFFAOYSA-NN-[4-(3-aminopropyl)aminobutyl]-2(9-guanidino-2-nonenamido)-2-hydroxyethanamideN-[4-(3-aminopropyl)aminobutyl]-2-(9-guanidino-2-nonenamido)-2-hydroxyethanamide

Database identifiers

PubChem CID
54285893

Properties

Computed structural properties

XLogP
-1
Topological polar surface area
181 Ų
Hydrogen bond donors
7
Hydrogen bond acceptors
6
Rotatable bonds
18
Heavy atoms
29

Related reactions

3 records

Linked notes

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