Chem
J-GLOBAL ID：200907061120430792   Nikkaji number：J2.766.236F

N-(5-Carboxylatopentyl)carbamic acid 6,11-bis(iminio)-2,2-dihydroxy-5,7,10,12-tetraazatricyclo[7.3.0.01,5]dodecane-8β-ylmethyl ester

6-[({[(4R)-10,10-ジヒドロキシ-2,6-ジイミニウミル-デカヒドロピロロ[1,2-c]プリン-4-イル]メトキシ}カルボニル)アミノ]ヘキサノアート
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： C16H28N5[N+]2O5[O-]
Molecular formula furigana： C16-H28-N7-O6
Molecular weight： 414.442
InChI： InChI=1S/C16H27N7O6/c17-12-21-11-9(8-29-14(26)19-6-3-1-2-4-10(24)25)20-13(18)23-7-5-15(27,28)16(11,23)22-12/h9,11,27-28H,1-8H2,(H2,18,20)(H,19,26)(H,24,25)(H3,17,21,22)/p+1/t9-,11?,16?/m0/s1
InChI key： IKPOCOUKAQLXMC-BAJKAOOYSA-O
SMILES： OC1(O)CCN2C(=[NH2+])N[C@@H](COC(=O)NCCCCCC(=O)[O-])C3NC(=[NH2+])NC123
Systematic name  (3)：
  • N-(5-カルボキシラトペンチル)カルバミド酸6,11-ビス(イミニオ)-2,2-ジヒドロキシ-5,7,10,12-テトラアザトリシクロ[7.3.0.01,5]ドデカン-8β-イルメチル
  • 6-[({[(4R)-10,10-ジヒドロキシ-2,6-ジイミニウミル-デカヒドロピロロ[1,2-c]プリン-4-イル]メトキシ}カルボニル)アミノ]ヘキサノアート
  • 6-[({[(4R)-10,10-dihydroxy-2,6-diiminiumyl-decahydropyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)amino]hexanoate
Other name (1)：
  • N-(5-Carboxylatopentyl)carbamic acid 6,11-bis(iminio)-2,2-dihydroxy-5,7,10,12-tetraazatricyclo[7.3.0.01,5]dodecane-8β-ylmethyl ester
Thsaurus map：
Thesaurus Map

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