Chem
J-GLOBAL ID:200907044009121045   Nikkaji number:J622.366D

(4S)-1,4,4aβ,5,5aβ,6,11,12a-Octahydro-4β-(dimethylamino)-3,5β,10,12,12aβ-pentahydroxy-6β-methyl-1,11-dioxo-9-(D-phenylalanylamino)naphthacene-2-carboxamide

(4S)-1,4,4aβ,5,5aβ,6,11,12a-オクタヒドロ-4β-(ジメチルアミノ)-3,5β,10,12,12aβ-ペンタヒドロキシ-6β-メチル-1,11-ジオキソ-9-(D-フェニルアラニルアミノ)ナフタセン-2-カルボアミド
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: C31H34N4O9
Molecular formula furigana: C31-H34-N4-O9
Molecular weight: 606.632
InChI: InChI=1S/C31H34N4O9/c1-12-14-9-10-16(34-30(43)15(32)11-13-7-5-4-6-8-13)23(36)18(14)24(37)19-17(12)25(38)21-22(35(2)3)26(39)20(29(33)42)28(41)31(21,44)27(19)40/h4-10,12,15,17,21-22,25,36,38-40,44H,11,32H2,1-3H3,(H2,33,42)(H,34,43)/t12-,15+,17+,21+,22-,25-,31-/m0/s1
InChI key: NZMYAQZAOWSVCF-VLPHYXACSA-N
SMILES: C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c2c(O)c(NC(=O)[C@H](N)Cc3ccccc3)ccc12)O)O
Systematic name  (3):
  • (4S)-1,4,4aβ,5,5aβ,6,11,12a-オクタヒドロ-4β-(ジメチルアミノ)-3,5β,10,12,12aβ-ペンタヒドロキシ-6β-メチル-1,11-ジオキソ-9-(D-フェニルアラニルアミノ)ナフタセン-2-カルボアミド
  • (4S,4aR,5S,5aR,6R,12aS)-9-[(2R)-2-アミノ-3-フェニルプロパンアミド]-4-(ジメチルアミノ)-3,5,10,12,12a-ペンタヒドロキシ-6-メチル-1,11-ジオキソ-1,4,4a,5,5a,6,11,12a-オクタヒドロテトラセン-2-カルボキサミド
  • (4S,4aR,5S,5aR,6R,12aS)-9-[(2R)-2-amino-3-phenylpropanamido]-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Other name (1):
  • (4S)-1,4,4aβ,5,5aβ,6,11,12a-Octahydro-4β-(dimethylamino)-3,5β,10,12,12aβ-pentahydroxy-6β-methyl-1,11-dioxo-9-(D-phenylalanylamino)naphthacene-2-carboxamide
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