Chem
J-GLOBAL ID:200907051763417615   Nikkaji number:J1.468.909E

2-[Bis[3-oxo-3-[2-[bis[3-oxo-3-[2-[bis(3-oxo-3-methoxypropyl)amino]ethylamino]propyl]amino]ethylamino]propyl]amino]ethylcarbamic acid tert-butyl ester

2-[ビス[3-オキソ-3-[2-[ビス[3-オキソ-3-[2-[ビス(3-オキソ-3-メトキシプロピル)アミノ]エチルアミノ]プロピル]アミノ]エチルアミノ]プロピル]アミノ]エチルカルバミド酸tert-ブチル
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: C69H124N14O24
Molecular formula furigana: C69-H124-N14-O24
Molecular weight: 1533.825
InChI: InChI=1S/C69H124N14O24/c1-69(2,3)107-68(98)76-32-53-79(37-16-58(88)70-26-47-77(33-12-54(84)72-28-49-80(39-18-60(90)99-4)40-19-61(91)100-5)34-13-55(85)73-29-50-81(41-20-62(92)101-6)42-21-63(93)102-7)38-17-59(89)71-27-48-78(35-14-56(86)74-30-51-82(43-22-64(94)103-8)44-23-65(95)104-9)36-15-57(87)75-31-52-83(45-24-66(96)105-10)46-25-67(97)106-11/h12-53H2,1-11H3,(H,70,88)(H,71,89)(H,72,84)(H,73,85)(H,74,86)(H,75,87)(H,76,98)
InChI key: TXXGYWXCFNIDMC-UHFFFAOYSA-N
SMILES: COC(=O)CCN(CCNC(=O)CCN(CCNC(=O)CCN(CCNC(=O)OC(C)(C)C)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)OC)CCC(=O)OC)CCC(=O)NCCN(CCC(=O)OC)CCC(=O)OC)CCC(=O)NCCN(CCC(=O)OC)CCC(=O)OC)CCC(=O)OC
Systematic name  (3):
  • 2-[ビス[3-オキソ-3-[2-[ビス[3-オキソ-3-[2-[ビス(3-オキソ-3-メトキシプロピル)アミノ]エチルアミノ]プロピル]アミノ]エチルアミノ]プロピル]アミノ]エチルカルバミド酸tert-ブチル
  • メチル 3-{[2-(3-{[2-({2-[ビス(3-メトキシ-3-オキソプロピル)アミノ]エチル}カルバモイル)エチル]({2-[3-({2-[(2-{ビス[2-({2-[ビス(3-メトキシ-3-オキソプロピル)アミノ]エチル}カルバモイル)エチル]アミノ}エチル)カルバモイル]エチル}(2-{[(tert-ブトキシ)カルボニル]アミノ}エチル)アミノ)プロパンアミド]エチル})アミノ}プロパンアミド)エチル](3-メトキシ-3-オキソプロピル)アミノ}プロパノアート
  • methyl 3-{[2-(3-{[2-({2-[bis(3-methoxy-3-oxopropyl)amino]ethyl}carbamoyl)ethyl]({2-[3-({2-[(2-{bis[2-({2-[bis(3-methoxy-3-oxopropyl)amino]ethyl}carbamoyl)ethyl]amino}ethyl)carbamoyl]ethyl}(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino)propanamido]ethyl})amino}propanamido)ethyl](3-methoxy-3-oxopropyl)amino}propanoate
Other name (1):
  • 2-[Bis[3-oxo-3-[2-[bis[3-oxo-3-[2-[bis(3-oxo-3-methoxypropyl)amino]ethylamino]propyl]amino]ethylamino]propyl]amino]ethylcarbamic acid tert-butyl ester
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