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1-(2-{[1-(Ethoxycarbonyl)-3-phenylpropyl]amino}propanoyl)proline maleate

HCID 3222
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O
InChIKey
GBXSMTUPTTWBMN-UHFFFAOYSA-N
Molecular formula
C20H28N2O5
Average molar mass
376.4 g/mol
Monoisotopic mass
376.199822

Names & identifiers

Preferred name
1-(2-{[1-(Ethoxycarbonyl)-3-phenylpropyl]amino}propanoyl)proline maleate
IUPAC
1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Names & synonyms

1-(2-{[1-(ethoxycarbonyl)-3-phenylpropyl]amino}propanoyl)proline maleate1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acidproline, 1-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-, maleate(R,S,S)-enalaprilCHEMBL25991SCHEMBL678442ALBB-022468STL419987AKOS015997893DB-055993DS-012601N-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)alanylproline
Show more names
(S)-(-)-1-[N-(1-Ethoxycarbonyl-3-phenylpropyl)-L-alanyl]-Lproline1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Database identifiers

PubChem CID
3222
ChEMBL
CHEMBL25991

Properties

Computed structural propertiesFilling in

XLogP
-0.1
Topological polar surface area
95.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
27
Formal charge
0
Complexity
519

Related reactions

3 records
New reaction record
HRID 815854 reaction equation
HRID 815854As productAs reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1141215 reaction equation
HRID 1141215As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1152319 reaction equation
HRID 1152319As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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