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(Q83023783)
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English
L-Prolinamide, N-((hexahydro-1-ethyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (R)-, hydrate (2:3)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
419.1917169
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-ethyl-2,6-dioxo-1,3-diazinane-4-carboxamide
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₅N₇O₅
0 references
canonical SMILES
CCN1C(=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
CCN1C(=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/C18H25N7O5/c1-2-24-14(26)7-11(23-18(24)30)16(28)22-12(6-10-8-20-9-21-10)17(29)25-5-3-4-13(25)15(19)27/h8-9,11-13H,2-7H2,1H3,(H2,19,27)(H,20,21)(H,22,28)(H,23,30)/t11-,12+,13+/m1/s1
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InChIKey
RUIPHNJSXWCPPW-AGIUHOORSA-N
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CAS Registry Number
128111-68-2
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PubChem CID
3080399
1 reference
matched by identifier from
InChIKey
InChIKey
RUIPHNJSXWCPPW-AGIUHOORSA-N
UniChem compound ID
67985122
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20155809
1 reference
matched by identifier from
InChIKey
InChIKey
RUIPHNJSXWCPPW-AGIUHOORSA-N
DSSTOX compound identifier
DTXCID2078300
0 references
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