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(Q106011820)
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English
Ile-Asp-Ala
chemical compound
(3S)-3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
317.158685456
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₂₃N₃O₆
0 references
canonical SMILES
CCC(C)C(N)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O)N
0 references
Identifiers
InChI
InChI=1S/C13H23N3O6/c1-4-6(2)10(14)12(20)16-8(5-9(17)18)11(19)15-7(3)13(21)22/h6-8,10H,4-5,14H2,1-3H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t6-,7-,8-,10-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
RPZFUIQVAPZLRH-GHCJXIJMSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
145456075
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
RPZFUIQVAPZLRH-GHCJXIJMSA-N
ChEBI ID
158248
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H23N3O6/c1-4-6(2)10(14)12(20)16-8(5-9(17)18)11(19)15-7(3)13(21)22/h6-8,10H,4-5,14H2,1-3H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t6-,7-,8-,10-/m0/s1
UniChem compound ID
176704624
1 reference
stated in
UniChem
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