Chem
J-GLOBAL ID:201807002408670767
Nikkaji number:J3.693.414J
5-[[4α-[4-[10,10-Dimethyl-3-amino-6-(methyliminio)-6,10-dihydro-10-silaanthracene-9-yl]-3-methylbenzoylamino]cyclohexane-1β-yl]aminocarbonyl]-2-[3-(dimethylamino)-6-(dimethyliminio)-6H-xanthene-9-yl]benzoic acid methyl ester
5-[[4α-[4-[10,10-ジメチル-3-アミノ-6-(メチルイミニオ)-6,10-ジヒドロ-10-シラアントラセン-9-イル]-3-メチルベンゾイルアミノ]シクロヘキサン-1β-イル]アミノカルボニル]-2-[3-(ジメチルアミノ)-6-(ジメチルイミニオ)-6H-キサンテン-9-イル]安息香酸メチル
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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:
C56 H60 N4 [N+]2 O5 Si
Molecular formula furigana:
C56-H60-N6-O5-SI
Molecular weight:
925.217
InChI:
InChI=1S/C56H58N6O5Si/c1-32-26-33(10-20-41(32)52-45-22-12-35(57)28-50(45)68(8,9)51-29-38(58-2)17-23-46(51)52)54(63)59-36-13-15-37(16-14-36)60-55(64)34-11-21-42(47(27-34)56(65)66-7)53-43-24-18-39(61(3)4)30-48(43)67-49-31-40(62(5)6)19-25-44(49)53/h10-12,17-31,36-37H,13-16H2,1-9H3,(H3-,57,58,59,60,63,64)/p+2/t36-,37-
InChI key:
ICDFIVWIICNUBM-YBEWYAPJSA-P
SMILES:
COC(=O)c1cc(ccc1c1c2ccc(cc2oc2cc(=[N+](C)C)ccc12)N(C)C)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(C2=C3C=CC(=[NH+]C)C=C3[Si](C)(C)c3cc(N)ccc23)c(C)c1
Systematic name (3):
5-[[4α-[4-[10,10-ジメチル-3-アミノ-6-(メチルイミニオ)-6,10-ジヒドロ-10-シラアントラセン-9-イル]-3-メチルベンゾイルアミノ]シクロヘキサン-1β-イル]アミノカルボニル]-2-[3-(ジメチルアミノ)-6-(ジメチルイミニオ)-6H-キサンテン-9-イル]安息香酸メチル
6-(ジメチルアミノ)-9-[2-(メトキシカルボニル)-4-{[(1r,4r)-4-{4-[5-アミノ-2,2-ジメチル-13-(メチルイミニウミル)-2-シラトリシクロ[8.4.0.03,8 ]テトラデカ-1(14),3,5,7,9,11-ヘキサエン-9-イル]-3-メチルベンズアミド}シクロヘキシル]カルバモイル}フェニル]-N,N-ジメチル-3H-キサンテン-3-イミニウム
6-(dimethylamino)-9-[2-(methoxycarbonyl)-4-{[(1r,4r)-4-{4-[5-amino-2,2-dimethyl-13-(methyliminiumyl)-2-silatricyclo[8.4.0.03,8 ]tetradeca-1(14),3,5,7,9,11-hexaen-9-yl]-3-methylbenzamido}cyclohexyl]carbamoyl}phenyl]-N,N-dimethyl-3H-xanthen-3-iminium
Other name (1):
5-[[4α-[4-[10,10-Dimethyl-3-amino-6-(methyliminio)-6,10-dihydro-10-silaanthracene-9-yl]-3-methylbenzoylamino]cyclohexane-1β-yl]aminocarbonyl]-2-[3-(dimethylamino)-6-(dimethyliminio)-6H-xanthene-9-yl]benzoic acid methyl ester
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