Chem
J-GLOBAL ID：201407079048487969   Nikkaji number：J3.251.794C

2-[[5-(Dimethylamino)-1-naphthyl]sulfonylamino]-3-[3,5-bis[bis(2-pyridylmethyl)aminomethyl]-4-hydroxyphenyl]propionic acid methyl ester

2-[[5-(ジメチルアミノ)-1-ナフチル]スルホニルアミノ]-3-[3,5-ビス[ビス(2-ピリジルメチル)アミノメチル]-4-ヒドロキシフェニル]プロピオン酸メチル
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： C48H50N8O5S
Molecular formula furigana： C48-H50-N8-O5-S
Molecular weight： 851.040
InChI： InChI=1S/C48H50N8O5S/c1-54(2)45-20-12-19-43-42(45)18-13-21-46(43)62(59,60)53-44(48(58)61-3)28-35-26-36(29-55(31-38-14-4-8-22-49-38)32-39-15-5-9-23-50-39)47(57)37(27-35)30-56(33-40-16-6-10-24-51-40)34-41-17-7-11-25-52-41/h4-27,44,53,57H,28-34H2,1-3H3
InChI key： QFQTVWLRSKBSBQ-UHFFFAOYSA-N
SMILES： COC(=O)C(Cc1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Systematic name  (3)：
  • 2-[[5-(ジメチルアミノ)-1-ナフチル]スルホニルアミノ]-3-[3,5-ビス[ビス(2-ピリジルメチル)アミノメチル]-4-ヒドロキシフェニル]プロピオン酸メチル
  • メチル 3-[3,5-ビス({ビス[(ピリジン-2-イル)メチル]アミノ}メチル)-4-ヒドロキシフェニル]-2-[5-(ジメチルアミノ)ナフタレン-1-スルホンアミド]プロパノアート
  • methyl 3-[3,5-bis({bis[(pyridin-2-yl)methyl]amino}methyl)-4-hydroxyphenyl]-2-[5-(dimethylamino)naphthalene-1-sulfonamido]propanoate
Other name (1)：
  • 2-[[5-(Dimethylamino)-1-naphthyl]sulfonylamino]-3-[3,5-bis[bis(2-pyridylmethyl)aminomethyl]-4-hydroxyphenyl]propionic acid methyl ester
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