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(Q82900541)
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English
N-[2-({2-[(2-Amino-1-hydroxyethylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]glycine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
326.13386767599997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₈N₆O₅
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canonical SMILES
NCC(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=C(NC=N1)C[C@@H](C(=O)NCC(=O)O)NC(=O)CNC(=O)CN
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Identifiers
InChI
InChI=1S/C12H18N6O5/c13-2-9(19)15-4-10(20)18-8(1-7-3-14-6-17-7)12(23)16-5-11(21)22/h3,6,8H,1-2,4-5,13H2,(H,14,17)(H,15,19)(H,16,23)(H,18,20)(H,21,22)/t8-/m0/s1
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InChIKey
QIGNJJXHZZTKQI-QMMMGPOBSA-N
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CAS Registry Number
128114-56-7
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PubChem CID
148096
1 reference
matched by identifier from
InChIKey
InChIKey
QIGNJJXHZZTKQI-QMMMGPOBSA-N
UniChem compound ID
33791290
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60926075
1 reference
matched by identifier from
InChIKey
InChIKey
QIGNJJXHZZTKQI-QMMMGPOBSA-N
DSSTOX compound identifier
DTXCID001354894
0 references
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