Chem
J-GLOBAL ID：200907093066103437
Nikkaji number：J1.945.971C
4-[(Trifluoroacetyl)amino]benzylphosphonic acid (1R,2R)-1-(4-nitrophenyl)-2-[(dichloroacetyl)amino]-3-[[[2-[[6-[[[4-(6-hydroxy-3-oxo-3H-xanthene-9-yl)-3-carboxyphenyl]amino](thiocarbonyl)amino]hexyl]amino]-2-oxoethyl]amino]carbonyloxy]propyl ester
4-[(トリフルオロアセチル)アミノ]ベンジルホスホン酸(1R,2R)-1-(4-ニトロフェニル)-2-[(ジクロロアセチル)アミノ]-3-[[[2-[[6-[[[4-(6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)-3-カルボキシフェニル]アミノ](チオカルボニル)アミノ]ヘキシル]アミノ]-2-オキソエチル]アミノ]カルボニルオキシ]プロピル
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
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
Molecular formula： C50H47Cl2F3N6[N+]O14[O-]PS
Molecular formula furigana： C50-H47-CL2-F3-N7-O15-P-S
Molecular weight： 1176.890
InChI：
InChI=1S/C50H47Cl2F3N7O15PS/c51-44(52)45(66)61-38(43(28-7-12-31(13-8-28)62(71)72)77-78(73,74)26-27-5-9-29(10-6-27)59-47(69)50(53,54)55)25-75-49(70)58-24-41(65)56-19-3-1-2-4-20-57-48(79)60-30-11-16-34(37(21-30)46(67)68)42-35-17-14-32(63)22-39(35)76-40-23-33(64)15-18-36(40)42/h5-18,21-23,38,43-44,63H,1-4,19-20,24-26H2,(H,56,65)(H,58,70)(H,59,69)(H,61,66)(H,67,68)(H,73,74)(H2,57,60,79)/t38-,43-/m1/s1
InChI key：
PBTZPLPSYJKCSF-BVXKYASOSA-N
SMILES：
OC(=O)c1cc(NC(=S)NCCCCCCNC(=O)CNC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](OP(=O)(O)Cc2ccc(NC(=O)C(F)(F)F)cc2)c2ccc(cc2)[N+](=O)[O-])ccc1c1c2ccc(O)cc2oc2cc(=O)ccc12
Systematic name (3)：
- 4-[(トリフルオロアセチル)アミノ]ベンジルホスホン酸(1R,2R)-1-(4-ニトロフェニル)-2-[(ジクロロアセチル)アミノ]-3-[[[2-[[6-[[[4-(6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)-3-カルボキシフェニル]アミノ](チオカルボニル)アミノ]ヘキシル]アミノ]-2-オキソエチル]アミノ]カルボニルオキシ]プロピル
- 5-[({6-[2-({[(2R,3R)-2-(2,2-ジクロロアセトアミド)-3-{[ヒドロキシ({[4-(2,2,2-トリフルオロアセトアミド)フェニル]メチル})ホスホリル]オキシ}-3-(4-ニトロフェニル)プロポキシ]カルボニル}アミノ)アセトアミド]ヘキシル}カルバモチオイル)アミノ]-2-(6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)安息香酸
- 5-[({6-[2-({[(2R,3R)-2-(2,2-dichloroacetamido)-3-{[hydroxy({[4-(2,2,2-trifluoroacetamido)phenyl]methyl})phosphoryl]oxy}-3-(4-nitrophenyl)propoxy]carbonyl}amino)acetamido]hexyl}carbamothioyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
- 4-[(Trifluoroacetyl)amino]benzylphosphonic acid (1R,2R)-1-(4-nitrophenyl)-2-[(dichloroacetyl)amino]-3-[[[2-[[6-[[[4-(6-hydroxy-3-oxo-3H-xanthene-9-yl)-3-carboxyphenyl]amino](thiocarbonyl)amino]hexyl]amino]-2-oxoethyl]amino]carbonyloxy]propyl ester
Return to Previous Page
