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CHEBI:127629 - (6S,7S,8S)-4-[2-(dimethylamino)-1-oxoethyl]-7-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:127629
ChEBI Name(6S,7S,8S)-4-[2-(dimethylamino)-1-oxoethyl]-7-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC22H30N4O3
Net Charge0
Average Mass398.507
Monoisotopic Mass398.23179
SMILESCN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)CN(C)C)C[C@H]23)cc1
InChIInChI=1S/C22H30N4O3/c1-23(2)11-5-6-16-7-9-17(10-8-16)22-18-12-25(20(28)13-24(3)4)14-21(29)26(18)19(22)15-27/h7-10,18-19,22,27H,11-15H2,1-4H3/t18-,19-,22+/m1/s1
InChIKeyPODBPCCRVPZCDI-KNKQGSTJSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7S,8S)-4-[2-(dimethylamino)-1-oxoethyl]-7-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127629) is a azetidines (CHEBI:38777)
(6S,7S,8S)-4-[2-(dimethylamino)-1-oxoethyl]-7-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127629) is a benzenes (CHEBI:22712)
(6S,7S,8S)-4-[2-(dimethylamino)-1-oxoethyl]-7-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127629) is a ring assembly (CHEBI:36820)
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