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Home > Product Catalog > Product category > Carbohydrate > N-benzyladriamycin-14-valerate

N-benzyladriamycin-14-valerate

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Standard English name
Cas No. 98983-21-2
Alias 2-((2S,4S)-4-(((2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)-2-oxoethyl pentanoate
Canonical Smiles C[C@@H]1O[C@H](C[C@H](NCC2C=CC=CC=2)[C@@H]1O)O[C@H]1C[C@@](O)(CC2C1=C(O)C1=C(C(=O)C3=CC=CC(OC)=C3C1=O)C=2O)C(=O)COC(=O)CCCC
MDL No.
Exact Mass 717.27853
Smiles CCCCC(OCC([C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](NCC3=CC=CC=C3)C2)C4=C(O)C5=C(C(C6=CC=CC(OC)=C6C5=O)=O)C(O)=C4C1)=O)=O
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Inchi InChI=1S/C39H43NO12/c1-4-5-14-28(42)50-19-27(41)39(48)16-23-31(38(47)33-32(36(23)45)35(44)22-12-9-13-25(49-3)30(22)37(33)46)26(17-39)52-29-15-24(34(43)20(2)51-29)40-18-21-10-7-6-8-11-21/h6-13,20,24,26,29,34,40,43,45,47-48H,4-5,14-19H2,1-3H3/t20-,24-,26-,29-,34+,39-/m0/s1
InchiKey IUKSGXMOHXEUJY-YWVRLZQXSA-N
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History
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