4-amino-4-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

AlkaPlorer ID: AK006150

Synonym: None

IUPAC Name: (4S)-4-amino-5-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid

Structure

SMILES: N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(=O)O

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InChI: InChI=1S/C14H18N2O6/c15-10(5-6-12(18)19)13(20)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22)/t10-,11-/m0/s1

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InChIKey: YSWHPLCDIMUKFE-QWRGUYRKSA-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: 310.30600000000004

TPSA: 153.44

MolLogP: 0.5365000000000002

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT019044 N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O enzymemap_65117
AKRT019045 N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O>>N[C@@H](Cc1ccc(O)cc1)C(=O)O enzymemap_65117