Chem
J-GLOBAL ID:200907028091391459   Nikkaji number:J1.579.381C

1-[4-[4-[4-[[(2S)-2-[Bis(ethylthio)methyl]pyrrolizino]carbonyl]-2-methoxy-5-nitrophenoxy]butoxy]-5-methoxy-2-nitrobenzoyl]-L-proline methyl ester

1-[4-[4-[4-[[(2S)-2-[ビス(エチルチオ)メチル]ピロリジノ]カルボニル]-2-メトキシ-5-ニトロフェノキシ]ブトキシ]-5-メトキシ-2-ニトロベンゾイル]-L-プロリンメチル
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: C35H46N2[N+]2O10[O-]2S2
Molecular formula furigana: C35-H46-N4-O12-S2
Molecular weight: 778.890
InChI: InChI=1S/C35H46N4O12S2/c1-6-52-35(53-7-2)25-13-11-15-37(25)33(41)23-19-29(48-4)31(21-27(23)39(45)46)51-17-9-8-16-50-30-20-26(38(43)44)22(18-28(30)47-3)32(40)36-14-10-12-24(36)34(42)49-5/h18-21,24-25,35H,6-17H2,1-5H3/t24-,25-/m0/s1
InChI key: MBXSSVXDCJPVLP-DQEYMECFSA-N
SMILES: CCSC(SCC)[C@@H]1CCCN1C(=O)c1cc(OC)c(OCCCCOc2cc(c(cc2OC)C(=O)N2CCC[C@H]2C(=O)OC)[N+](=O)[O-])cc1[N+](=O)[O-]
Systematic name  (3):
  • 1-[4-[4-[4-[[(2S)-2-[ビス(エチルチオ)メチル]ピロリジノ]カルボニル]-2-メトキシ-5-ニトロフェノキシ]ブトキシ]-5-メトキシ-2-ニトロベンゾイル]-L-プロリンメチル
  • メチル (2S)-1-[4-(4-{4-[(2S)-2-[ビス(エチルスルファニル)メチル]ピロリジン-1-カルボニル]-2-メトキシ-5-ニトロフェノキシ}ブトキシ)-5-メトキシ-2-ニトロベンゾイル]ピロリジン-2-カルボキシラート
  • methyl (2S)-1-[4-(4-{4-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy}butoxy)-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxylate
Other name (1):
  • 1-[4-[4-[4-[[(2S)-2-[Bis(ethylthio)methyl]pyrrolizino]carbonyl]-2-methoxy-5-nitrophenoxy]butoxy]-5-methoxy-2-nitrobenzoyl]-L-proline methyl ester
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