Chem
J-GLOBAL ID：200907074129222100   Nikkaji number：J2.105.298A

3′-[1-[3-(Dimethylamino)propyl]-2,5-dioxopyrrolidine-3-ylamino]-3′-deaminoamphotericin B methyl

3′-[1-[3-(ジメチルアミノ)プロピル]-2,5-ジオキソピロリジン-3-イルアミノ]-3′-デアミノアンホテリシンBメチル
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： C57H89N3O19
Molecular formula furigana： C57-H89-N3-O19
Molecular weight： 1120.341
InChI： InChI=1S/C57H89N3O19/c1-34-21-18-16-14-12-10-8-9-11-13-15-17-19-22-41(78-56-53(71)50(52(70)37(4)77-56)58-42-31-47(67)60(54(42)72)26-20-25-59(5)6)30-46-49(55(73)75-7)45(66)33-57(74,79-46)32-40(63)28-44(65)43(64)24-23-38(61)27-39(62)29-48(68)76-36(3)35(2)51(34)69/h8-19,21-22,34-46,49-53,56,58,61-66,69-71,74H,20,23-33H2,1-7H3/b9-8-,12-10-,13-11-,16-14-,17-15-,21-18-,22-19-/t34-,35-,36-,37+,38+,39+,40-,41-,42?,43+,44+,45-,46-,49+,50-,51+,52+,53-,56-,57+/m0/s1
InChI key： UXIHZVNEYUAENB-UARKUXLWSA-N
SMILES： COC(=O)[C@@H]1[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C\C=C/C=C\C=C/C=C\C=C/C=C\[C@@H](C[C@@H]1O2)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](NC2CC(=O)N(CCCN(C)C)C2=O)[C@@H]1O
Systematic name  (3)：
  • 3′-[1-[3-(ジメチルアミノ)プロピル]-2,5-ジオキソピロリジン-3-イルアミノ]-3′-デアミノアンホテリシンBメチル
  • メチル (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-({1-[3-(ジメチルアミノ)プロピル]-2,5-ジオキソピロリジン-3-イル}アミノ)-3,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-1,3,5,6,9,11,17,37-オクタヒドロキシ-15,16,18-トリメチル-13-オキソ-14,39-ジオキサビシクロ[33.3.1]ノナトリアコンタ-19,21,23,25,27,29,31-ヘプタエン-36-カルボキシラート
  • methyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-({1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl}amino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
Other name (2)：
  • 3′-[1-[3-(Dimethylamino)propyl]-2,5-dioxopyrrolidine-3-ylamino]-3′-deaminoamphotericin B methyl ester
  • 3′-[1-[3-(Dimethylamino)propyl]-2,5-dioxopyrrolidine-3-ylamino]-3′-deaminoamphotericin B methyl
Thsaurus map：
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