Chem
J-GLOBAL ID:200907048692002612   Nikkaji number:J1.889.355J

Tris[2-[[N-[N-hydroxy-N-[N-(2,2′-bipyridine-5-ylcarbonyl)-β-alanyl]-β-alanyl]-2-methylglycyl]amino]ethyl]amine

トリス[2-[[N-[N-ヒドロキシ-N-[N-(2,2′-ビピリジン-5-イルカルボニル)-β-アラニル]-β-アラニル]-2-メチルグリシル]アミノ]エチル]アミン
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: C66H81N19O15
Molecular formula furigana: C66-H81-N19-O15
Molecular weight: 1380.492
InChI: InChI=1S/C66H81N19O15/c1-43(79-55(86)22-34-83(98)58(89)19-28-70-64(95)46-13-16-52(76-40-46)49-10-4-7-25-67-49)61(92)73-31-37-82(38-32-74-62(93)44(2)80-56(87)23-35-84(99)59(90)20-29-71-65(96)47-14-17-53(77-41-47)50-11-5-8-26-68-50)39-33-75-63(94)45(3)81-57(88)24-36-85(100)60(91)21-30-72-66(97)48-15-18-54(78-42-48)51-12-6-9-27-69-51/h4-18,25-27,40-45,98-100H,19-24,28-39H2,1-3H3,(H,70,95)(H,71,96)(H,72,97)(H,73,92)(H,74,93)(H,75,94)(H,79,86)(H,80,87)(H,81,88)/t43-,44-,45-/m0/s1
InChI key: IWRUHFPPOJSUNL-OFEBPFRVSA-N
SMILES: C[C@H](NC(=O)CCN(O)C(=O)CCNC(=O)c1ccc(nc1)c1ccccn1)C(=O)NCCN(CCNC(=O)[C@H](C)NC(=O)CCN(O)C(=O)CCNC(=O)c1ccc(nc1)c1ccccn1)CCNC(=O)[C@H](C)NC(=O)CCN(O)C(=O)CCNC(=O)c1ccc(nc1)c1ccccn1
Systematic name  (3):
  • トリス[2-[[N-[N-ヒドロキシ-N-[N-(2,2′-ビピリジン-5-イルカルボニル)-β-アラニル]-β-アラニル]-2-メチルグリシル]アミノ]エチル]アミン
  • (2S)-2-{3-[3-({[2,2'-ビピリジン]-5-イル}ホルムアミド)-N-ヒドロキシプロパンアミド]プロパンアミド}-N-{2-[ビス({2-[(2S)-2-{3-[3-({[2,2'-ビピリジン]-5-イル}ホルムアミド)-N-ヒドロキシプロパンアミド]プロパンアミド}プロパンアミド]エチル})アミノ]エチル}プロパンアミド
  • (2S)-2-{3-[3-({[2,2'-bipyridin]-5-yl}formamido)-N-hydroxypropanamido]propanamido}-N-{2-[bis({2-[(2S)-2-{3-[3-({[2,2'-bipyridin]-5-yl}formamido)-N-hydroxypropanamido]propanamido}propanamido]ethyl})amino]ethyl}propanamide
Other name (1):
  • Tris[2-[[N-[N-hydroxy-N-[N-(2,2′-bipyridine-5-ylcarbonyl)-β-alanyl]-β-alanyl]-2-methylglycyl]amino]ethyl]amine
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