2-mercapto-pentanoyl-(L)-homophenylalanyl-(L)-phenylalanine-N-methyl amide

HCID 59878744
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCC(S)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
InChIKey
NBMQXDXNNNCERU-LGTSYYJHSA-N
Molecular formula
C25H33N3O3S
Average molar mass
455.6 g/mol

Names & identifiers

Preferred name
2-mercapto-pentanoyl-(L)-homophenylalanyl-(L)-phenylalanine-N-methyl amide
IUPAC
N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-2-sulfanylpentanamide

Names & synonyms

NBMQXDXNNNCERU-LGTSYYJHSA-N2-mercapto-pentanoyl-(L)-homophenylalanyl-(L)-phenylalanine-N-methyl amide

Database identifiers

PubChem CID
59878744

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
88.3 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
12
Heavy atoms
32

Related reactions

1 records
New reaction record

Linked notes

Loading…