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English
5-({1-[(Carboxymethyl)imino]-1-hydroxy-3-[(2-hydroxy-1-phenylethyl)sulfanyl]propan-2-yl}imino)-5-hydroxynorvaline
group of stereoisomers with the chemical formula C₁₈H₂₅N₃O₇S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
427.14132113999995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₅N₃O₇S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC(CCC(O)=NC(CSC(CO)c1ccccc1)C(O)=NCC(=O)O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N[C@@H](CCC(=O)N[C@@H](CSC(CO)c1ccccc1)C(=O)NCC(=O)O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H25N3O7S/c19-12(18(27)28)6-7-15(23)21-13(17(26)20-8-16(24)25)10-29-14(9-22)11-4-2-1-3-5-11/h1-5,12-14,22H,6-10,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-,14?/m0/s1
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InChIKey
CZKKOKOXWRMXOQ-RFHHWMCGSA-N
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CAS Registry Number
64186-97-6
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PubChem CID
152041
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
33918967
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20982718
0 references
DSSTOX compound identifier
DTXCID801409978
0 references
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