Chem
J-GLOBAL ID：200907051620597485   Nikkaji number：J556.818H

N2-(4-Hydroxy-L-βLys-)cyclo[L-A2pr*-3-hydroxy-L-Ala-3-hydroxy-L-Ala-3-(carbamoylamino)Dha-2-[[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin]-4-yl]-L-Gly-]

N2-(4-ヒドロキシ-L-βLys-)シクロ[L-A2pr*-3-ヒドロキシ-L-Ala-3-ヒドロキシ-L-Ala-3-(カルバモイルアミノ)Dha-2-[[(4R)-2-アミノ-1,4,5,6-テトラヒドロピリミジン]-4-イル]-L-Gly-]
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： C25H43N13O10
Molecular formula furigana： C25-H43-N13-O10
Molecular weight： 685.700
InChI： InChI=1S/C25H43N13O10/c26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43/h7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48)/t10-,11-,12?,14?,15?,16?,18?/m1/s1
InChI key： HPWIIERXAFODPP-VTJQPJLSSA-N
SMILES： NCCC(O)[C@H](N)CC(=O)NC1CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC1=O)[C@H]1CCNC(=N1)N
Systematic name  (3)：
  • N2-(4-ヒドロキシ-L-βLys-)シクロ[L-A2pr*-3-ヒドロキシ-L-Ala-3-ヒドロキシ-L-Ala-3-(カルバモイルアミノ)Dha-2-[[(4R)-2-アミノ-1,4,5,6-テトラヒドロピリミジン]-4-イル]-L-Gly-]
  • (3R)-3,6-ジアミノ-N-[(3S,9S,12S,15S)-3-[(4R)-2-アミノ-1,4,5,6-テトラヒドロピリミジン-4-イル]-6-[(カルバモイルアミノ)メチリデン]-9,12-ビス(ヒドロキシメチル)-2,5,8,11,14-ペンタオキソ-1,4,7,10,13-ペンタアザシクロヘキサデカン-15-イル]-4-ヒドロキシヘキサンアミド
  • (3R)-3,6-diamino-N-[(3S,9S,12S,15S)-3-[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]-4-hydroxyhexanamide
Other name (1)：
  • N2-(4-Hydroxy-L-βLys-)cyclo[L-A2pr*-3-hydroxy-L-Ala-3-hydroxy-L-Ala-3-(carbamoylamino)Dha-2-[[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin]-4-yl]-L-Gly-]
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