Chem
J-GLOBAL ID:200907027699061293   Nikkaji number:J2.084.961D

Nα-[N-[2-[N-[2-[N-[2-[N-[2-[N-[2-[N-[2-[N-[2-(Glycylamino)ethyl]-N-(cytosine-1-ylacetyl)glycylamino]ethyl]-N-(6-amino-9H-purine-9-ylacetyl)glycylamino]ethyl]-N-(6-amino-9H-purine-9-ylacetyl)glycylamino]ethyl]-N-(6-amino-9H-purine-9-ylacetyl)glycylamino]ethyl]-N-[2-amino-6(1H)-oxo-9H-purine-9-ylacetyl]glycylamino]ethyl]-N-(thymine-1-ylacetyl)glycylamino]ethyl]-N-[2-amino-6(1H)-oxo-9H-purine-9-ylacetyl]glycyl]glycinamide

Nα-[N-[2-[N-[2-[N-[2-[N-[2-[N-[2-[N-[2-[N-[2-(グリシルアミノ)エチル]-N-(シトシン-1-イルアセチル)グリシルアミノ]エチル]-N-(6-アミノ-9H-プリン-9-イルアセチル)グリシルアミノ]エチル]-N-(6-アミノ-9H-プリン-9-イルアセチル)グリシルアミノ]エチル]-N-(6-アミノ-9H-プリン-9-イルアセチル)グリシルアミノ]エチル]-N-[2-アミノ-6(1H)-オキソ-9H-プリン-9-イルアセチル]グリシルアミノ]エチル]-N-(チミン-1-イルアセチル)グリシルアミノ]エチル]-N-[2-アミノ-6(1H)-オキソ-9H-プリン-9-イルアセチル]グリシル]グリシンアミド
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: C80H101N47O21
Molecular formula furigana: C80-H101-N47-O21
Molecular weight: 2056.996
InChI: InChI=1S/C80H101N47O21/c1-43-20-122(80(148)113-74(43)144)29-55(138)115(22-48(131)95-9-17-120(27-53(136)96-19-45(83)128)60(143)34-127-42-107-65-73(127)110-78(88)112-76(65)146)12-4-90-52(135)26-119(59(142)33-126-41-106-64-72(126)109-77(87)111-75(64)145)16-8-94-51(134)25-118(58(141)32-125-40-105-63-68(86)99-37-102-71(63)125)15-7-93-50(133)24-117(57(140)31-124-39-104-62-67(85)98-36-101-70(62)124)14-6-92-49(132)23-116(56(139)30-123-38-103-61-66(84)97-35-100-69(61)123)13-5-91-47(130)21-114(11-3-89-46(129)18-81)54(137)28-121-10-2-44(82)108-79(121)147/h2,10,20,35-42H,3-9,11-19,21-34,81H2,1H3,(H2,83,128)(H,89,129)(H,90,135)(H,91,130)(H,92,132)(H,93,133)(H,94,134)(H,95,131)(H,96,136)(H2,82,108,147)(H2,84,97,100)(H2,85,98,101)(H2,86,99,102)(H,113,144,148)(H3,87,109,111,145)(H3,88,110,112,146)
InChI key: PXBKUYKNFZTGHH-UHFFFAOYSA-N
SMILES: Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(N)ncnc23)C(=O)Cn2cnc3c(N)ncnc23)C(=O)Cn2cnc3c(N)ncnc23)C(=O)Cn2cnc3c2nc(N)[nH]c3=O)CC(=O)NCCN(CC(=O)NCC(=O)N)C(=O)Cn2cnc3c2nc(N)[nH]c3=O)c(=O)[nH]c1=O
Systematic name  (3):
  • Nα-[N-[2-[N-[2-[N-[2-[N-[2-[N-[2-[N-[2-[N-[2-(グリシルアミノ)エチル]-N-(シトシン-1-イルアセチル)グリシルアミノ]エチル]-N-(6-アミノ-9H-プリン-9-イルアセチル)グリシルアミノ]エチル]-N-(6-アミノ-9H-プリン-9-イルアセチル)グリシルアミノ]エチル]-N-(6-アミノ-9H-プリン-9-イルアセチル)グリシルアミノ]エチル]-N-[2-アミノ-6(1H)-オキソ-9H-プリン-9-イルアセチル]グリシルアミノ]エチル]-N-(チミン-1-イルアセチル)グリシルアミノ]エチル]-N-[2-アミノ-6(1H)-オキソ-9H-プリン-9-イルアセチル]グリシル]グリシンアミド
  • 2-[N-(2-{2-[N-(2-{2-[N-(2-{2-[N-(2-{2-[N-(2-{2-[N-(2-{2-[2-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-N-[2-(2-アミノアセトアミド)エチル]アセトアミド]アセトアミド}エチル)-2-(6-アミノ-9H-プリン-9-イル)アセトアミド]アセトアミド}エチル)-2-(6-アミノ-9H-プリン-9-イル)アセトアミド]アセトアミド}エチル)-2-(6-アミノ-9H-プリン-9-イル)アセトアミド]アセトアミド}エチル)-2-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)アセトアミド]アセトアミド}エチル)-2-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)アセトアミド]アセトアミド}エチル)-2-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)アセトアミド]-N-(カルバモイルメチル)アセトアミド
  • 2-[N-(2-{2-[N-(2-{2-[N-(2-{2-[N-(2-{2-[N-(2-{2-[N-(2-{2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-[2-(2-aminoacetamido)ethyl]acetamido]acetamido}ethyl)-2-(6-amino-9H-purin-9-yl)acetamido]acetamido}ethyl)-2-(6-amino-9H-purin-9-yl)acetamido]acetamido}ethyl)-2-(6-amino-9H-purin-9-yl)acetamido]acetamido}ethyl)-2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)acetamido]acetamido}ethyl)-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]acetamido}ethyl)-2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)acetamido]-N-(carbamoylmethyl)acetamide
Other name (1):
  • Nα-[N-[2-[N-[2-[N-[2-[N-[2-[N-[2-[N-[2-[N-[2-(Glycylamino)ethyl]-N-(cytosine-1-ylacetyl)glycylamino]ethyl]-N-(6-amino-9H-purine-9-ylacetyl)glycylamino]ethyl]-N-(6-amino-9H-purine-9-ylacetyl)glycylamino]ethyl]-N-(6-amino-9H-purine-9-ylacetyl)glycylamino]ethyl]-N-[2-amino-6(1H)-oxo-9H-purine-9-ylacetyl]glycylamino]ethyl]-N-(thymine-1-ylacetyl)glycylamino]ethyl]-N-[2-amino-6(1H)-oxo-9H-purine-9-ylacetyl]glycyl]glycinamide
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