Chem
J-GLOBAL ID:200907064513271024
Nikkaji number:J11.051E
SCH-22591
ペンチソミシン
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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:
C19 H37 N5 O7
Molecular formula furigana:
C19-H37-N5-O7
Molecular weight:
447.533
InChI:
InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12-,13-,14-,15+,16-,17-,18-,19+/m1/s1
InChI key:
URWAJWIAIPFPJE-VHLNBGGKSA-N
SMILES:
CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CN)[C@H]2O)OC[C@]1(C)O
Systematic name (4):
1-O-[3-(メチルアミノ)-4-C-メチル-3-デオキシ-β-L-アラビノピラノシル]-3-O-(2,6-ジアミノ-2,3,4,6-テトラデオキシ-α-D-glycero-ヘキサ-4-エノピラノシル)-4,6-ジアミノ-4,5,6-トリデオキシ-D-myo-イノシトール
4,6-ジアミノ-3-O-(2,6-ジアミノ-1,2,3,4,6-ペンタデオキシ-4,5-ジデヒドロ-α-D-glycero-ヘキソピラノース-1-イル)-4,5,6-トリデオキシ-1-O-[3-デオキシ-4-C-メチル-3-(メチルアミノ)-β-L-アラビノピラノシル]-D-myo-イノシトール
(2R,3R,4R,5R)-2-{[(1S,2R,3R,4S,6R)-4,6-ジアミノ-3-{[(2S,3R)-3-アミノ-6-(アミノメチル)-3,4-ジヒドロ-2H-ピラン-2-イル]オキシ}-2-ヒドロキシシクロヘキシル]オキシ}-5-メチル-4-(メチルアミノ)オキサン-3,5-ジオール
(2R,3R,4R,5R)-2-{[(1S,2R,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol
Other name (9):
CAS registry number:
55870-64-9
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