Chem
J-GLOBAL ID：200907006255882889   Nikkaji number：J1.900.531C

(2S,5R,6S,7Z,14S)-1,2-Propano-5,6-methano-3,15-dioxo-14-(tert-butyloxycarbonylamino)-1,4-diazacyclohexadeca-7-ene-5-carboxylic acid

(2S,5R,6S,7Z,14S)-1,2-プロパノ-5,6-メタノ-3,15-ジオキソ-14-(tert-ブチルオキシカルボニルアミノ)-1,4-ジアザシクロヘキサデカ-7-エン-5-カルボン酸
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： C24H37N3O6
Molecular formula furigana： C24-H37-N3-O6
Molecular weight： 463.575
InChI： InChI=1S/C24H37N3O6/c1-23(2,3)33-22(32)25-17-11-8-6-4-5-7-10-16-14-24(16,21(30)31)26-20(29)18-12-9-13-27(18)15-19(17)28/h7,10,16-18H,4-6,8-9,11-15H2,1-3H3,(H,25,32)(H,26,29)(H,30,31)/b10-7-/t16-,17+,18+,24-/m1/s1
InChI key： JMJQSLYYSYTODZ-HJOXCSFTSA-N
SMILES： CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]2CCCN2CC1=O)C(=O)O
Systematic name  (3)：
  • (2S,5R,6S,7Z,14S)-1,2-プロパノ-5,6-メタノ-3,15-ジオキソ-14-(tert-ブチルオキシカルボニルアミノ)-1,4-ジアザシクロヘキサデカ-7-エン-5-カルボン酸
  • (1S,4R,6S,7Z,14S)-14-{[(tert-ブトキシ)カルボニル]アミノ}-2,15-ジオキソ-3,17-ジアザトリシクロ[15.3.0.04,6]イコサ-7-エン-4-カルボン酸
  • (1S,4R,6S,7Z,14S)-14-{[(tert-butoxy)carbonyl]amino}-2,15-dioxo-3,17-diazatricyclo[15.3.0.04,6]icos-7-ene-4-carboxylic acid
Other name (1)：
  • (2S,5R,6S,7Z,14S)-1,2-Propano-5,6-methano-3,15-dioxo-14-(tert-butyloxycarbonylamino)-1,4-diazacyclohexadeca-7-ene-5-carboxylic acid
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