1-{6-Amino-2-[(1-carboxy-3-phenylpropyl)amino]hexanoyl}pyrrolidine-2-carboxylic acid

HCID 3937

Notes Reactions

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Basic information

Standard SMILES: NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O
InChIKey: RLAWWYSOJDYHDC-UHFFFAOYSA-N
Molecular formula: C21H31N3O5
Average molar mass: 405.5 g/mol
Monoisotopic mass: 405.2263711

Names & identifiers

Preferred name: 1-{6-Amino-2-[(1-carboxy-3-phenylpropyl)amino]hexanoyl}pyrrolidine-2-carboxylic acid
IUPAC: 1-[6-amino-2-[(1-carboxy-3-phenylpropyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Names & synonyms

C21H31N3O5Lisinopril racemic mixtureCHEMBL105890SCHEMBL24062681EBC-12631MFCD13372532AKOS005612998AB048521-{6-amino-2-[(1-carboxy-3-phenylpropyl)amino]hexanoyl}pyrrolidine-2-carboxylic acidNCGC00094934-01NCGC00094934-02AS-56169

Show more names

EN300-198362081-[6-Amino-2-(1-carboxy-3-phenyl-propylamino)-hexanoyl]-pyrrolidine-2-carboxylic acid1-[6-amino-2-[(1-carboxy-3-phenyl-propyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Database identifiers

PubChem CID: 3937
ChEMBL: CHEMBL105890
Nikkaji: J1.181.952D

Properties

Computed structural properties

XLogP: -2.9
Topological polar surface area: 133 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 12
Heavy atoms: 29
Formal charge: 0
Complexity: 550

Related reactions

3 records

New reaction record

HRID 93732As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1224165As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1564053As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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