Chem
J-GLOBAL ID：200907045515508434   Nikkaji number：J696.835J

17-Amino-17-demethoxygeldanamycin

17-アミノ-17-デメトキシゲルダナマイシン
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： C28H39N3O8
Molecular formula furigana： C28-H39-N3-O8
Molecular weight： 545.633
InChI： InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,33H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7-,15-8+,17-12+/t14-,16+,21?,22+,24-,26+/m1/s1
InChI key： XYFFWTYOFPSZRM-BOHLPJPASA-N
SMILES： CO[C@H]1C[C@H](C)CC2=C(N)C(=O)C=C(NC(=O)/C(=C/C=C\C(OC)[C@@H](OC(=O)N)/C(=C/[C@H](C)[C@H]1O)/C)/C)C2=O
Systematic name  (4)：
  • 17-アミノ-17-デメトキシゲルダナマイシン
  • 17-アミノ-17-デメトキシ-ゲルダナマイシン
  • (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-アミノ-13-ヒドロキシ-8,14-ジメトキシ-4,10,12,16-テトラメチル-3,20,22-トリオキソ-2-アザビシクロ[16.3.1]ドコサ-1(21),4,6,10,18-ペンタエン-9-イル カルバマート
  • (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
Other name (2)：
  • 17-Amino-17-demethoxygeldanamycin
  • 17-Amino-17-demethoxy-geldanamycin
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