Chem
J-GLOBAL ID：200907077785694271   Nikkaji number：J2.091.583H

N2-Octanoylcyclo(L-A2bu*-L-A2bu-D-Phe-L-Ile-L-A2bu-L-A2bu-L-Thr-)

N2-オクタノイルシクロ(L-A2bu*-L-A2bu-D-Phe-L-Ile-L-A2bu-L-A2bu-L-Thr-)
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： C43H73N11O9
Molecular formula furigana： C43-H73-N11-O9
Molecular weight： 888.125
InChI： InChI=1S/C43H73N11O9/c1-5-7-8-9-13-16-34(56)48-32-20-24-47-42(62)36(27(4)55)54-40(60)31(19-23-46)50-37(57)30(18-22-45)51-43(63)35(26(3)6-2)53-41(61)33(25-28-14-11-10-12-15-28)52-38(58)29(17-21-44)49-39(32)59/h10-12,14-15,26-27,29-33,35-36,55H,5-9,13,16-25,44-46H2,1-4H3,(H,47,62)(H,48,56)(H,49,59)(H,50,57)(H,51,63)(H,52,58)(H,53,61)(H,54,60)/t26-,27+,29?,30-,31-,32?,33+,35-,36?/m0/s1
InChI key： NTNKZOAESUMFSA-VPIDXWHFSA-N
SMILES： CCCCCCCC(=O)NC1CCNC(=O)C(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCN)NC1=O)[C@@H](C)CC)[C@@H](C)O
Systematic name  (3)：
  • N2-オクタノイルシクロ(L-A2bu*-L-A2bu-D-Phe-L-Ile-L-A2bu-L-A2bu-L-Thr-)
  • N-[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-トリス(2-アミノエチル)-15-ベンジル-12-[(2S)-ブタン-2-イル]-3-[(1R)-1-ヒドロキシエチル]-2,5,8,11,14,17,20-ヘプタオキソ-1,4,7,10,13,16,19-ヘプタアザシクロトリコサン-21-イル]オクタンアミド
  • N-[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-12-[(2S)-butan-2-yl]-3-[(1R)-1-hydroxyethyl]-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]octanamide
Other name (1)：
  • N2-Octanoylcyclo(L-A2bu*-L-A2bu-D-Phe-L-Ile-L-A2bu-L-A2bu-L-Thr-)
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM