Chem
J-GLOBAL ID:200907078864489353   Nikkaji number:J1.682.267A

N-[[(3R,4S,7S,10S,11R)-3-Ethyl-3-methyl-6,9-dioxo-7-isopropyl-10-(4-nitrophenylsulfonylamino)-11-hydroxy-15-(benzyloxy)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-triene-4-yl]carbonyl]glycine benzyl ester

N-[[(3R,4S,7S,10S,11R)-3-エチル-3-メチル-6,9-ジオキソ-7-イソプロピル-10-(4-ニトロフェニルスルホニルアミノ)-11-ヒドロキシ-15-(ベンジルオキシ)-2-オキサ-5,8-ジアザビシクロ[10.3.1]ヘキサデカ-1(16),12,14-トリエン-4-イル]カルボニル]グリシンベンジル
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: C42H47N4[N+]O11[O-]S
Molecular formula furigana: C42-H47-N5-O12-S
Molecular weight: 845.920
InChI: InChI=1S/C42H47N5O12S/c1-5-42(4)38(41(52)43-23-34(48)58-25-28-14-10-7-11-15-28)45-39(50)35(26(2)3)44-40(51)36(46-60(55,56)31-19-17-30(18-20-31)47(53)54)37(49)29-16-21-32(33(22-29)59-42)57-24-27-12-8-6-9-13-27/h6-22,26,35-38,46,49H,5,23-25H2,1-4H3,(H,43,52)(H,44,51)(H,45,50)/t35-,36?,37+,38+,42+/m0/s1
InChI key: SMOQQGSIDDBIGP-ZFTUGCRQSA-N
SMILES: CC[C@@]1(C)Oc2cc(ccc2OCc2ccccc2)[C@@H](O)C(NS(=O)(=O)c2ccc(cc2)[N+](=O)[O-])C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C(=O)NCC(=O)OCc1ccccc1
Systematic name  (3):
  • N-[[(3R,4S,7S,10S,11R)-3-エチル-3-メチル-6,9-ジオキソ-7-イソプロピル-10-(4-ニトロフェニルスルホニルアミノ)-11-ヒドロキシ-15-(ベンジルオキシ)-2-オキサ-5,8-ジアザビシクロ[10.3.1]ヘキサデカ-1(16),12,14-トリエン-4-イル]カルボニル]グリシンベンジル
  • ベンジル 2-{[(3R,4S,7S,10S,11R)-15-(ベンジルオキシ)-3-エチル-11-ヒドロキシ-3-メチル-10-(4-ニトロベンゼンスルホンアミド)-6,9-ジオキソ-7-(プロパン-2-イル)-2-オキサ-5,8-ジアザビシクロ[10.3.1]ヘキサデカ-1(16),12,14-トリエン-4-イル]ホルムアミド}アセタート
  • benzyl 2-{[(3R,4S,7S,10S,11R)-15-(benzyloxy)-3-ethyl-11-hydroxy-3-methyl-10-(4-nitrobenzenesulfonamido)-6,9-dioxo-7-(propan-2-yl)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]formamido}acetate
Other name (1):
  • N-[[(3R,4S,7S,10S,11R)-3-Ethyl-3-methyl-6,9-dioxo-7-isopropyl-10-(4-nitrophenylsulfonylamino)-11-hydroxy-15-(benzyloxy)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-triene-4-yl]carbonyl]glycine benzyl ester
Thsaurus map:

Return to Previous Page