Chem
J-GLOBAL ID:200907026975670316   Nikkaji number:J2.525.653K

Malonic acid 1-[4-oxo-4-[[1,1-bis[3-oxo-3-[[1,1-bis(3-oxo-3-hydroxypropyl)-4-oxo-4-hydroxybutyl]amino]propyl]-4-oxo-4-[[1,1-bis(3-oxo-3-hydroxypropyl)-4-oxo-4-hydroxybutyl]amino]butyl]amino]butyl]-3-methyl ester

マロン酸1-[4-オキソ-4-[[1,1-ビス[3-オキソ-3-[[1,1-ビス(3-オキソ-3-ヒドロキシプロピル)-4-オキソ-4-ヒドロキシブチル]アミノ]プロピル]-4-オキソ-4-[[1,1-ビス(3-オキソ-3-ヒドロキシプロピル)-4-オキソ-4-ヒドロキシブチル]アミノ]ブチル]アミノ]ブチル]-3-メチル
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: C48H72N4O26
Molecular formula furigana: C48-H72-N4-O26
Molecular weight: 1121.106
InChI: InChI=1S/C48H72N4O26/c1-77-43(75)29-44(76)78-28-2-3-30(53)49-45(16-4-31(54)50-46(19-7-34(57)58,20-8-35(59)60)21-9-36(61)62,17-5-32(55)51-47(22-10-37(63)64,23-11-38(65)66)24-12-39(67)68)18-6-33(56)52-48(25-13-40(69)70,26-14-41(71)72)27-15-42(73)74/h2-29H2,1H3,(H,49,53)(H,50,54)(H,51,55)(H,52,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)
InChI key: MYFQALKTQCISEE-UHFFFAOYSA-N
SMILES: COC(=O)CC(=O)OCCCC(=O)NC(CCC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O)(CCC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O)CCC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O
Systematic name  (3):
  • マロン酸1-[4-オキソ-4-[[1,1-ビス[3-オキソ-3-[[1,1-ビス(3-オキソ-3-ヒドロキシプロピル)-4-オキソ-4-ヒドロキシブチル]アミノ]プロピル]-4-オキソ-4-[[1,1-ビス(3-オキソ-3-ヒドロキシプロピル)-4-オキソ-4-ヒドロキシブチル]アミノ]ブチル]アミノ]ブチル]-3-メチル
  • 4-(2-カルボキシエチル)-4-(6-{[1,5-ジカルボキシ-3-(2-カルボキシエチル)ペンタン-3-イル]カルバモイル}-4-(2-{[1,5-ジカルボキシ-3-(2-カルボキシエチル)ペンタン-3-イル]カルバモイル}エチル)-4-{4-[(3-メトキシ-3-オキソプロパノイル)オキシ]ブタンアミド}ヘキサンアミド)ヘプタン二酸
  • 4-(2-carboxyethyl)-4-(6-{[1,5-dicarboxy-3-(2-carboxyethyl)pentan-3-yl]carbamoyl}-4-(2-{[1,5-dicarboxy-3-(2-carboxyethyl)pentan-3-yl]carbamoyl}ethyl)-4-{4-[(3-methoxy-3-oxopropanoyl)oxy]butanamido}hexanamido)heptanedioic acid
Other name (1):
  • Malonic acid 1-[4-oxo-4-[[1,1-bis[3-oxo-3-[[1,1-bis(3-oxo-3-hydroxypropyl)-4-oxo-4-hydroxybutyl]amino]propyl]-4-oxo-4-[[1,1-bis(3-oxo-3-hydroxypropyl)-4-oxo-4-hydroxybutyl]amino]butyl]amino]butyl]-3-methyl ester
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