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(Q106012079)
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English
Ala-Ser-Met
chemical compound
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulanylbutanoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
307.12019177200006
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₂₁N₃O₅S
0 references
canonical SMILES
CSCCC(NC(=O)C(CO)NC(=O)C(C)N)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)O)N
0 references
Identifiers
InChI
InChI=1S/C11H21N3O5S/c1-6(12)9(16)14-8(5-15)10(17)13-7(11(18)19)3-4-20-2/h6-8,15H,3-5,12H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)/t6-,7-,8-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
OMCKWYSDUQBYCN-FXQIFTODSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
145453665
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
OMCKWYSDUQBYCN-FXQIFTODSA-N
ChEBI ID
158505
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H21N3O5S/c1-6(12)9(16)14-8(5-15)10(17)13-7(11(18)19)3-4-20-2/h6-8,15H,3-5,12H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)/t6-,7-,8-/m0/s1
UniChem compound ID
176702252
1 reference
stated in
UniChem
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