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1-(2-Amino-3-methyl-butyryl)-pyrrolidine-2-carboxylic acid

AlkaPlorer ID: AK160509

Synonym: None

IUPAC Name: (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

Structure

SMILES: CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O

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InChI: InChI=1S/C10H18N2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)/t7-,8-/m0/s1

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InChIKey: GIAZPLMMQOERPN-YUMQZZPRSA-N

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Properties Information

Molecule Weight: 214.265

TPSA？: 83.63000000000001

MolLogP？: 0.0453000000000002

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Angiotensin-converting enzyme IC50 416869.38 nM 10.1021/jm00014a022
Homo sapiens Angiotensin-converting enzyme IC50 416869.38 nM 10.1021/jm00068a017
Homo sapiens Angiotensin-converting enzyme logIC50 2.62 None 10.1016/j.ejmech.2014.07.015
Homo sapiens Oligopeptide transporter small intestine isoform Ki 60000.0 nM 10.1021/jm030976x
Homo sapiens Solute carrier family 15 member 2 Ki 38904.51 nM 10.1016/j.bmc.2011.06.027
Homo sapiens Solute carrier family 15 member 2 Ki 39000.0 nM 10.1016/j.bmc.2011.06.027
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 420000.0 nM 10.1016/j.ejmech.2011.05.007

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005982 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)O>>CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O enzymemap_66764
AKRT006194 CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1>>CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O enzymemap_67017
AKRT006196 CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1>>CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O enzymemap_67043
AKRT006197 CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_66247
AKRT006198 CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O>>CC(C)[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1 None
AKRT006199 CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O>>O=C(O)[C@@H]1CCCN1 enzymemap_66247
AKRT011959 COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)C(C)C)[C@H](O)[C@H](C)O1>>CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O enzymemap_67044