Chem
J-GLOBAL ID:200907026557639054   Nikkaji number:J2.338.068D

(2R)-2-[[(2S,4R)-1-[3-(Hexadecylsulfonylamino)propionyl]-4-(2-aminoethyl)-2-pyrrolidinyl]carbonylamino]-3-[[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]thio]propionic acid methyl ester

(2R)-2-[[(2S,4R)-1-[3-(ヘキサデシルスルホニルアミノ)プロピオニル]-4-(2-アミノエチル)-2-ピロリジニル]カルボニルアミノ]-3-[[(2E,6E)-3,7,11-トリメチル-2,6,10-ドデカトリエニル]チオ]プロピオン酸メチル
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: C45H82N4O6S2
Molecular formula furigana: C45-H82-N4-O6-S2
Molecular weight: 839.290
InChI: InChI=1S/C45H82N4O6S2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-57(53,54)47-31-28-43(50)49-35-40(27-30-46)34-42(49)44(51)48-41(45(52)55-6)36-56-32-29-39(5)26-22-25-38(4)24-21-23-37(2)3/h23,25,29,40-42,47H,7-22,24,26-28,30-36,46H2,1-6H3,(H,48,51)/b38-25+,39-29+/t40-,41+,42+/m1/s1
InChI key: NPDWPGMETXSVOD-VJECPBKYSA-N
SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)NCCC(=O)N1C[C@H](CCN)C[C@H]1C(=O)N[C@@H](CSC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC
Systematic name  (3):
  • (2R)-2-[[(2S,4R)-1-[3-(ヘキサデシルスルホニルアミノ)プロピオニル]-4-(2-アミノエチル)-2-ピロリジニル]カルボニルアミノ]-3-[[(2E,6E)-3,7,11-トリメチル-2,6,10-ドデカトリエニル]チオ]プロピオン酸メチル
  • メチル (2R)-2-{[(2S,4R)-4-(2-アミノエチル)-1-[3-(ヘキサデカン-1-スルホンアミド)プロパノイル]ピロリジン-2-イル]ホルムアミド}-3-{[(2E,6E)-3,7,11-トリメチルドデカ-2,6,10-トリエン-1-イル]スルファニル}プロパノアート
  • methyl (2R)-2-{[(2S,4R)-4-(2-aminoethyl)-1-[3-(hexadecane-1-sulfonamido)propanoyl]pyrrolidin-2-yl]formamido}-3-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]sulfanyl}propanoate
Other name (1):
  • (2R)-2-[[(2S,4R)-1-[3-(Hexadecylsulfonylamino)propionyl]-4-(2-aminoethyl)-2-pyrrolidinyl]carbonylamino]-3-[[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]thio]propionic acid methyl ester
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