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6-Benzyl-1,4,7-trihydroxy-9-(2-methylpropyl)-3-[6-(oxiran-2-yl)-6-oxohexyl]-3,6,9,12,13,14,15,15a-octahydro-10H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-10-one

HCID 160102
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Basic information

CAS
86402-37-1
Standard SMILES
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@@H]2CCCCN2C1=O
InChIKey
DYQZJCUKWTVTLH-HTUOISEFSA-N
Molecular formula
C31H44N4O6
Average molar mass
568.715 g/mol
Monoisotopic mass
568.32608513

Names & identifiers

Preferred name
6-Benzyl-1,4,7-trihydroxy-9-(2-methylpropyl)-3-[6-(oxiran-2-yl)-6-oxohexyl]-3,6,9,12,13,14,15,15a-octahydro-10H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-10-one
IUPAC
(3S,6R,9S,15aS)-6-Benzyl-1,4,7-trihydroxy-9-(2-methylpropyl)-3-[6-(oxiran-2-yl)-6-oxohexyl]-3,6,9,12,13,14,15,15a-octahydro-10H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-10-one

Database identifiers

CAS
86402-37-1
PubChem CID
160102
DTXSID
DTXSID701006806

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