1-[2-(4-Allyloxy-3,5-dichloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (2-benzyloxy-5-oxo-tetrahydro-furan-3-yl)-amide

HCID 22977486

Basic information

Standard SMILES
C=CCOc1c(Cl)cc(C(=O)NC(C)C(=O)N2CCCC2C(=O)NC2CC(=O)OC2OCc2ccccc2)cc1Cl
InChIKey
PKCNZCGCOCNOFH-UHFFFAOYSA-N
Molecular formula
C29H31Cl2N3O7
Average molar mass
604.5 g/mol

Names & identifiers

Preferred name
1-[2-(4-Allyloxy-3,5-dichloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (2-benzyloxy-5-oxo-tetrahydro-furan-3-yl)-amide
IUPAC
1-[2-[(3,5-dichloro-4-prop-2-enoxybenzoyl)amino]propanoyl]-N-(5-oxo-2-phenylmethoxyoxolan-3-yl)pyrrolidine-2-carboxamide

Names & synonyms

PKCNZCGCOCNOFH-UHFFFAOYSA-N1-[2-(4-Allyloxy-3,5-dichloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (2-benzyloxy-5-oxo-tetrahydro-furan-3-yl)-amide

Database identifiers

PubChem CID
22977486

Properties

Computed structural properties

XLogP
4
Topological polar surface area
123 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
41

Related reactions

7 records

Compound notes

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