Chem
J-GLOBAL ID:200907001867696365   Nikkaji number:J2.093.248A

(4S,5S)-4-Hydroxy-5-(dibenzylamino)-6-methyl-2-heptynoic acid ethyl ester

(4S,5S)-4-ヒドロキシ-5-(ジベンジルアミノ)-6-メチル-2-ヘプチン酸エチル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C24H29NO3
Molecular formula furigana: C24-H29-N-O3
Molecular weight: 379.500
InChI: InChI=1S/C24H29NO3/c1-4-28-23(27)16-15-22(26)24(19(2)3)25(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14,19,22,24,26H,4,17-18H2,1-3H3/t22-,24-/m0/s1
InChI key: ZPMQIAWUPXSIPJ-UPVQGACJSA-N
SMILES: CCOC(=O)C#C[C@H](O)[C@H](C(C)C)N(Cc1ccccc1)Cc1ccccc1
Systematic name  (3):
  • (4S,5S)-4-ヒドロキシ-5-(ジベンジルアミノ)-6-メチル-2-ヘプチン酸エチル
  • エチル (4S,5S)-5-(ジベンジルアミノ)-4-ヒドロキシ-6-メチルヘプタ-2-イノアート
  • ethyl (4S,5S)-5-(dibenzylamino)-4-hydroxy-6-methylhept-2-ynoate
Other name (1):
  • (4S,5S)-4-Hydroxy-5-(dibenzylamino)-6-methyl-2-heptynoic acid ethyl ester
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