Chem
J-GLOBAL ID：200907027756526699   Nikkaji number：J1.787.320B

7-[2-(4-Azidobenzoylamino)-5-[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazole-4-yl)valerylamino]valerylamino]-4,5-dithiaheptanoic acid 2,5-dioxo-3-(sodiooxysulfonyl)pyrrolizino

7-[2-(4-アジドベンゾイルアミノ)-5-[5-(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)バレリルアミノ]バレリルアミノ]-4,5-ジチアヘプタン酸2,5-ジオキソ-3-(ソジオオキシスルホニル)ピロリジノ
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： C31H40N7[N-][N+]NaO11S4
Molecular formula furigana： C31-H40-N9-NA-O11-S4
Molecular weight： 865.940
InChI： InChI=1S/C31H41N9O11S4.Na/c32-39-38-19-9-7-18(8-10-19)28(44)35-20(4-3-12-33-24(41)6-2-1-5-22-27-21(17-52-22)36-31(47)37-27)29(45)34-13-15-54-53-14-11-26(43)51-40-25(42)16-23(30(40)46)55(48,49)50;/h7-10,20-23,27H,1-6,11-17H2,(H,33,41)(H,34,45)(H,35,44)(H2,36,37,47)(H,48,49,50);/q;+1/p-1
InChI key： HRMHZCCYRCWNMY-UHFFFAOYSA-M
SMILES： [Na]OS(=O)(=O)C1CC(=O)N(OC(=O)CCSSCCNC(=O)C(CCCNC(=O)CCCCC2SCC3NC(=O)NC23)NC(=O)c2ccc(cc2)N=[N+]=[N-])C1=O
Systematic name  (3)：
  • 7-[2-(4-アジドベンゾイルアミノ)-5-[5-(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)バレリルアミノ]バレリルアミノ]-4,5-ジチアヘプタン酸2,5-ジオキソ-3-(ソジオオキシスルホニル)ピロリジノ
  • 2,5-ジオキソ-3-[(ソジオオキシ)スルホニル]ピロリジン-1-イル 3-[(2-{2-[(4-アジドフェニル)ホルムアミド]-5-(5-{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)ペンタンアミド}エチル)ジスルファニル]プロパノアート
  • 2,5-dioxo-3-[(sodiooxy)sulfonyl]pyrrolidin-1-yl 3-[(2-{2-[(4-azidophenyl)formamido]-5-(5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanamido)pentanamido}ethyl)disulfanyl]propanoate
Other name (1)：
  • 7-[2-(4-Azidobenzoylamino)-5-[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazole-4-yl)valerylamino]valerylamino]-4,5-dithiaheptanoic acid 2,5-dioxo-3-(sodiooxysulfonyl)pyrrolizino
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