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(Q82755985)
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English
L-Alanyl-N-(7-amino-1-chloro-2-oxoheptan-3-yl)-L-phenylalaninamide
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
396.192818468
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₉ClN₄O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(N)C(O)=NC(Cc1ccccc1)C(O)=NC(CCCCN)C(=O)CCl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(CCCCN)C(=O)CCl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H29ClN4O3/c1-13(22)18(26)24-16(11-14-7-3-2-4-8-14)19(27)23-15(17(25)12-20)9-5-6-10-21/h2-4,7-8,13,15-16H,5-6,9-12,21-22H2,1H3,(H,23,27)(H,24,26)/t13-,15?,16-/m0/s1
0 references
InChIKey
PQFDYTFVYFOAEG-VFDRBLODSA-N
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CAS Registry Number
52780-82-2
0 references
PubChem CID
71365505
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66622818
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80788915
0 references
DSSTOX compound identifier
DTXCID70739658
0 references
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