Chem
J-GLOBAL ID：200907035983233102   Nikkaji number：J10.184B

Maysine

メイシン
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： C28H35ClN2O7
Molecular formula furigana： C28-H35-CL-N2-O7
Molecular weight： 547.050
InChI： InChI=1S/C28H35ClN2O7/c1-16-8-7-9-22(36-6)28(34)15-21(37-26(33)30-28)17(2)25-27(3,38-25)11-10-23(32)31(4)19-13-18(12-16)14-20(35-5)24(19)29/h7-11,13-14,17,21-22,25,34H,12,15H2,1-6H3,(H,30,33)/b9-7-,11-10-,16-8-/t17-,21+,22-,25+,27+,28+/m1/s1
InChI key： PDXPLYCPNXZSAL-IGPWAZEMSA-N
SMILES： CO[C@@H]1/C=C\C=C(\C)/Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)/C=C\[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2
Systematic name  (3)：
  • (2E)-3-デ[2-[アセチル(メチル)アミノ]-1-オキソプロポキシ]-2,3-ジデヒドロメイタンシン
  • (1S,2R,3S,5S,6Z,16Z,18Z,20R,21S)-11-クロロ-21-ヒドロキシ-12,20-ジメトキシ-2,5,9,16-テトラメチル-4,24-ジオキサ-9,22-ジアザテトラシクロ[19.3.1.110,14.03,5]ヘキサコサ-6,10(26),11,13,16,18-ヘキサエン-8,23-ジオン
  • (1S,2R,3S,5S,6Z,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-6,10(26),11,13,16,18-hexaene-8,23-dione
Other name (3)：
  • メイシン
  • Maysine
  • (2E)-3-De[2-[acetyl(methyl)amino]-1-oxopropoxy]-2,3-didehydromaytansine
CAS registry number： 52978-28-6
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