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English
N-[2-({2-[(2-Amino-5-carbamimidamido-1-hydroxypentylidene)amino]-1-hydroxyethylidene}amino)-3-carboxy-1-hydroxypropylidene]threonine
group of stereoisomers with the chemical formula C₁₆H₂₉N₇O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
447.20776088800005
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₉N₇O₈
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)C(N=C(O)C(CC(=O)O)N=C(O)CN=C(O)C(N)CCCNC(=N)N)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H29N7O8/c1-7(24)12(15(30)31)23-14(29)9(5-11(26)27)22-10(25)6-21-13(28)8(17)3-2-4-20-16(18)19/h7-9,12,24H,2-6,17H2,1H3,(H,21,28)(H,22,25)(H,23,29)(H,26,27)(H,30,31)(H4,18,19,20)/t7?,8-,9-,12+/m0/s1
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InChIKey
RESYERROEGJEGB-WCZBDXNWSA-N
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CAS Registry Number
93675-01-5
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PubChem CID
125057
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
53587814
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10918228
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DSSTOX compound identifier
DTXCID401347182
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