CHEBI:159066 - Leu-Asp-Thr

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Leu-Asp-Thr
ChEBI ID CHEBI:159066
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB3167375, ChemicalBook:CB4183426, eMolecules:494487, ZINC000000899824
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Formula C14H25N3O7
Net Charge 0
Average Mass 347.368
Monoisotopic Mass 347.16925
InChI InChI=1S/C14H25N3O7/c1-6(2)4-8(15)12(21)16-9(5-10(19)20)13(22)17-11(7(3)18)14(23)24/h6-9,11,18H,4-5,15H2,1-3H3,(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t7-,8+,9+,11+/m1/s1
InChIKey CLVUXCBGKUECIT-HJGDQZAQSA-N
SMILES O=C(N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@H](O)C)C(O)=O)[C@@H](N)CC(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Leu-Asp-Thr (CHEBI:159066) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-oxobutanoic acid