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(Q82565986)
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English
Benzyl (2S,3aS,6aS)-1-[(2S)-2-{[(benzyloxy)carbonyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylate (non-preferred name)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
450.21547205999997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₆H₃₀N₂O₅
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canonical SMILES
CC(NC(=O)OCc1ccccc1)C(=O)N1C(C(=O)OCc2ccccc2)CC2CCCC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
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Identifiers
InChI
InChI=1S/C26H30N2O5/c1-18(27-26(31)33-17-20-11-6-3-7-12-20)24(29)28-22-14-8-13-21(22)15-23(28)25(30)32-16-19-9-4-2-5-10-19/h2-7,9-12,18,21-23H,8,13-17H2,1H3,(H,27,31)/t18-,21-,22-,23-/m0/s1
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InChIKey
FQGLITLMBXNLFN-QGQQZZQASA-N
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CAS Registry Number
1356382-92-7
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PubChem CID
29973507
1 reference
matched by identifier from
InChIKey
InChIKey
FQGLITLMBXNLFN-QGQQZZQASA-N
UniChem compound ID
5813464
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10652458
1 reference
matched by identifier from
InChIKey
InChIKey
FQGLITLMBXNLFN-QGQQZZQASA-N
DSSTOX compound identifier
DTXCID10603208
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