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Ala-Ala-Ala

AlkaPlorer ID: AK350356

Synonym: None

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid

Structure

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

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InChI: InChI=1S/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6-/m0/s1

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InChIKey: BYXHQQCXAJARLQ-ZLUOBGJFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Trypanosoma brucei Trypanosoma Trypanosomatidae Trypanosomatida Kinetoplastea Euglenozoa None Eukaryota

Properties Information

Molecule Weight: 231.252

TPSA？: 128.5

MolLogP？: 0.1082

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Oligopeptide transporter small intestine isoform Ki 180000.0 nM 10.1021/jm048982w
Homo sapiens Solute carrier family 15 member 2 Ki 18000.0 nM 10.1016/j.bmc.2011.06.027
Homo sapiens Solute carrier family 15 member 2 Ki 18197.01 nM 10.1016/j.bmc.2011.06.027
Rattus norvegicus Tripeptidyl aminopeptidase Ki 14000.0 nM 10.1021/jm990226g
Saccharomyces cerevisiae Saccharomyces cerevisiae Drug uptake 2.91 nmol/min 10.1128/aac.01648-07
Saccharomyces cerevisiae Saccharomyces cerevisiae Drug uptake 3.15 nmol/min 10.1128/aac.01648-07
Saccharomyces cerevisiae Saccharomyces cerevisiae Drug uptake 4.74 nmol/min 10.1128/aac.01648-07
Saccharomyces cerevisiae Saccharomyces cerevisiae Drug uptake 5.3 nmol/min 10.1128/aac.01648-07
Saccharomyces cerevisiae Saccharomyces cerevisiae Drug uptake 32.0 % 10.1128/aac.01648-07

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002523 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O enzymemap_68054
AKRT002525 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O.C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O None
AKRT002526 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O enzymemap_68001
AKRT013420 C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O enzymemap_67165
AKRT013422 C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O enzymemap_75326
AKRT013424 C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O enzymemap_66681
AKRT013426 C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O enzymemap_64989
AKRT013430 C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O enzymemap_67274
AKRT013434 C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O.N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O>>C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC[C@H](N)C(=O)O)C(=O)O enzymemap_32773
AKRT013435 C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)O enzymemap_64988
AKRT013436 C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>C[C@H](N)C(=O)O enzymemap_64988
AKRT013452 C[C@H](N)C(=O)N[C@@H](C)C(=O)O.C[C@H](N)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O MNXR129447
AKRT013818 C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)Oc1ccccc1)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O enzymemap_74052
AKRT013819 C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O enzymemap_73853
AKRT013820 C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O enzymemap_73856
AKRT013821 C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)Oc1ccccc1)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O enzymemap_74051
AKRT013822 C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O enzymemap_73857
AKRT013823 C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Oc1ccccc1)C(=O)O>>C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O enzymemap_74053