Chem
J-GLOBAL ID：200907010439228453   Nikkaji number：J459.847D

Maytansinoid 2

メイタンシノイド2
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： C36H50ClN3O10S2
Molecular formula furigana： C36-H50-CL-N3-O10-S2
Molecular weight： 784.380
InChI： InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10-,20-11-/t21-,22+,26+,27-,28?,32+,35+,36+/m1/s1
InChI key： ZLUUPZXOPGORNG-UELZJSAFSA-N
SMILES： CO[C@@H]1/C=C\C=C(\C)/Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)CC(OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2
Systematic name  (4)：
  • 2′-デ(アセチルメチルアミノ)-2′-[メチル[3-(メチルジチオ)プロピオニル]アミノ]マイタンシン
  • 2′-デ(アセチルメチルアミノ)-2′-[メチル(3-メチルジチオプロパノイル)アミノ]メイタンシン
  • (1S,2R,3S,5S,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-8,23-ジオキソ-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-10(26),11,13,16,18-ペンタエン-6-イル (2S)-2-[N-メチル-3-(メチルジスルファニル)プロパンアミド]プロパノアート
  • (1S,2R,3S,5S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-[N-methyl-3-(methyldisulfanyl)propanamido]propanoate
Other name (5)：
  • メイタンシノイド2
  • Maytansinoid 2
  • 2′-De(acetylmethylamino)-2′-[methyl(3-methyldithiopropanoyl)amino]maytansine
  • マイタンシノイドDM1
  • Maytansinoid DM1
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