Chem
J-GLOBAL ID:200907033006767503   Nikkaji number:J372.072A

N,N′-Bis[5-[[[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]cyclopentane-1β,2α-dicarboxamide

(1R,2R)-N1,N2-ビス[5-({5-[(2-カルバムイミドイルエチル)カルバモイル]-1-メチル-1H-ピロール-3-イル}カルバモイル)-1-メチル-1H-ピロール-3-イル]シクロペンタン-1,2-ジカルボキサミド
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: C37H48N14O6
Molecular formula furigana: C37-H48-N14-O6
Molecular weight: 784.883
InChI: InChI=1S/C37H48N14O6/c1-48-18-22(12-26(48)34(54)42-10-8-30(38)39)46-36(56)28-14-20(16-50(28)3)44-32(52)24-6-5-7-25(24)33(53)45-21-15-29(51(4)17-21)37(57)47-23-13-27(49(2)19-23)35(55)43-11-9-31(40)41/h12-19,24-25H,5-11H2,1-4H3,(H3,38,39)(H3,40,41)(H,42,54)(H,43,55)(H,44,52)(H,45,53)(H,46,56)(H,47,57)/t24-,25-/m1/s1
InChI key: WNHSSSGYPSNYGP-JWQCQUIFSA-N
SMILES: Cn1cc(NC(=O)c2cc(NC(=O)[C@@H]3CCC[C@H]3C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N
Systematic name  (3):
  • N,N′-ビス[5-[[[5-[[(3-アミノ-3-イミノプロピル)アミノ]カルボニル]-1-メチル-1H-ピロール-3-イル]アミノ]カルボニル]-1-メチル-1H-ピロール-3-イル]シクロペンタン-1β,2α-ジカルボアミド
  • (1R,2R)-N1,N2-ビス[5-({5-[(2-カルバムイミドイルエチル)カルバモイル]-1-メチル-1H-ピロール-3-イル}カルバモイル)-1-メチル-1H-ピロール-3-イル]シクロペンタン-1,2-ジカルボキサミド
  • (1R,2R)-N1,N2-bis[5-({5-[(2-carbamimidoylethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]cyclopentane-1,2-dicarboxamide
Other name (1):
  • N,N′-Bis[5-[[[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]cyclopentane-1β,2α-dicarboxamide
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