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(Q83023779)
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English
L-Prolinamide, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-D-histidyl-, (S)-, hydrate (4:3)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
405.176066836
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Taltirelin
1 reference
based on heuristic
inferred from InChI
L-Prolinamide, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (R)-, hydrate
1 reference
based on heuristic
inferred from InChI
D-Prolinamide, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₃N₇O₅
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canonical SMILES
CN1C(=O)CC(C(=O)NC(Cc2cnc[nH]2)C(=O)N2CCCC2C(N)=O)NC1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1C(=O)C[C@H](NC1=O)C(=O)N[C@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N
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Identifiers
InChI
InChI=1S/C17H23N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t10-,11+,12-/m0/s1
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InChIKey
LQZAIAZUDWIVPM-TUAOUCFPSA-N
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CAS Registry Number
128111-65-9
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PubChem CID
3080397
1 reference
matched by identifier from
InChIKey
InChIKey
LQZAIAZUDWIVPM-TUAOUCFPSA-N
UniChem compound ID
133826
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00155807
1 reference
matched by identifier from
InChIKey
InChIKey
LQZAIAZUDWIVPM-TUAOUCFPSA-N
DSSTOX compound identifier
DTXCID5078298
0 references
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