Chem
J-GLOBAL ID：201207035483990239   Nikkaji number：J3.041.643K

3-[6-[2-[5-[(3aβ,6aβ)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4α-yl]pentanoylamino]ethyldithio]-5-nitro-3-pyridylcarbonylamino]propionic acid

3-[6-[2-[5-[(3aβ,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-イル]ペンタノイルアミノ]エチルジチオ]-5-ニトロ-3-ピリジルカルボニルアミノ]プロピオン酸
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： C21H28N5[N+]O6[O-]S3
Molecular formula furigana： C21-H28-N6-O7-S3
Molecular weight： 572.670
InChI： InChI=1S/C21H28N6O7S3/c28-16(4-2-1-3-15-18-13(11-35-15)25-21(32)26-18)22-7-8-36-37-20-14(27(33)34)9-12(10-24-20)19(31)23-6-5-17(29)30/h9-10,13,15,18H,1-8,11H2,(H,22,28)(H,23,31)(H,29,30)(H2,25,26,32)/t13-,15-,18-/m0/s1
InChI key： IIXIPCKLHJBSAG-YEWWUXTCSA-N
SMILES： OC(=O)CCNC(=O)c1cnc(SSCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c(c1)[N+](=O)[O-]
Systematic name  (3)：
  • 3-[6-[2-[5-[(3aβ,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-イル]ペンタノイルアミノ]エチルジチオ]-5-ニトロ-3-ピリジルカルボニルアミノ]プロピオン酸
  • 3-({6-[(2-{5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド}エチル)ジスルファニル]-5-ニトロピリジン-3-イル}ホルムアミド)プロパン酸
  • 3-({6-[(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethyl)disulfanyl]-5-nitropyridin-3-yl}formamido)propanoic acid
Other name (1)：
  • 3-[6-[2-[5-[(3aβ,6aβ)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4α-yl]pentanoylamino]ethyldithio]-5-nitro-3-pyridylcarbonylamino]propionic acid
Thsaurus map：
Thesaurus Map

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