Chem
J-GLOBAL ID:200907007036833607
Nikkaji number:J864.493D
N-[(1S,2R)-1-[1-(Mesitylsulfonyl)-1H-indol-3-ylmethyl]-2-[(tetrahydro-2H-pyran)-2-yloxy]-3-butenyl]carbamic acid tert-butyl ester
N-[(1S,2R)-1-[1-(メシチルスルホニル)-1H-インドール-3-イルメチル]-2-[(テトラヒドロ-2H-ピラン)-2-イルオキシ]-3-ブテニル]カルバミド酸tert-ブチル
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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:
C32 H42 N2 O6 S
Molecular formula furigana:
C32-H42-N2-O6-S
Molecular weight:
582.760
InChI:
InChI=1S/C32H42N2O6S/c1-8-28(39-29-15-11-12-16-38-29)26(33-31(35)40-32(5,6)7)19-24-20-34(27-14-10-9-13-25(24)27)41(36,37)30-22(3)17-21(2)18-23(30)4/h8-10,13-14,17-18,20,26,28-29H,1,11-12,15-16,19H2,2-7H3,(H,33,35)/t26-,28+,29?/m0/s1
InChI key:
DBHGOEDZBHLFEE-LZTNQCFBSA-N
SMILES:
Cc1cc(C)c(c(C)c1)S(=O)(=O)n1cc(C[C@H](NC(=O)OC(C)(C)C)[C@H](OC2CCCCO2)C=C)c2ccccc12
Systematic name (3):
N-[(1S,2R)-1-[1-(メシチルスルホニル)-1H-インドール-3-イルメチル]-2-[(テトラヒドロ-2H-ピラン)-2-イルオキシ]-3-ブテニル]カルバミド酸tert-ブチル
tert-ブチル N-[(2S,3R)-3-(オキサン-2-イルオキシ)-1-[1-(2,4,6-トリメチルベンゼンスルホニル)-1H-インドール-3-イル]ペンタ-4-エン-2-イル]カルバマート
tert-butyl N-[(2S,3R)-3-(oxan-2-yloxy)-1-[1-(2,4,6-trimethylbenzenesulfonyl)-1H-indol-3-yl]pent-4-en-2-yl]carbamate
Other name (1):
N-[(1S,2R)-1-[1-(Mesitylsulfonyl)-1H-indol-3-ylmethyl]-2-[(tetrahydro-2H-pyran)-2-yloxy]-3-butenyl]carbamic acid tert-butyl ester
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