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(Q82986454)
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English
10-Amino-7-{[(carboxymethyl)imino](hydroxy)methyl}-9-hydroxy-4-phenyl-4-sulfanylidene-3-oxa-5-thia-8-aza-4lambda~5~-phosphatridec-8-en-13-oic acid
group of stereoisomers with the chemical formula C₁₈H₂₆N₃O₇PS₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
491.09497880199984
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₆N₃O₇PS₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOP(=S)(SCC(N=C(O)C(N)CCC(=O)O)C(O)=NCC(=O)O)c1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOP(=S)(SC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H26N3O7PS2/c1-2-28-29(30,12-6-4-3-5-7-12)31-11-14(18(27)20-10-16(24)25)21-17(26)13(19)8-9-15(22)23/h3-7,13-14H,2,8-11,19H2,1H3,(H,20,27)(H,21,26)(H,22,23)(H,24,25)/t13-,14-,29?/m0/s1
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InChIKey
OEFKXNBHVJAGOO-JFCOJJNWSA-N
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CAS Registry Number
73962-44-4
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PubChem CID
44153564
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
64321738
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30995192
0 references
DSSTOX compound identifier
DTXCID201422221
0 references
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