Chemical Components in the PDB

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LPR : Summary

Code

LPR

One-letter code

X

Molecule name

[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE

Synonyms

LISINOPRIL

Systematic names

ProgramVersionName
ACDLabs 10.04 N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline
OpenEye OEToolkits 1.5.0 (2S)-1-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenyl-butan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

Formula

C21 H31 N3 O5

Formal charge

0

Molecular weight

405.488 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)CCCCN)CCC2
SMILES CACTVS 3.341 NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2CCC[CH]2C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CCC(C(=O)O)NC(CCCCN)C(=O)N2CCCC2C(=O)O
Canonical SMILES CACTVS 3.341 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N2CCC[C@H]2C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O

IUPAC InChI

InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1

IUPAC InChI key

RLAWWYSOJDYHDC-BZSNNMDCSA-N

Has sub-components

 CLT
LPR

wwPDB Information

Atom count

60 (29 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-11-25

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned