Chem
J-GLOBAL ID：200907057370537196   Nikkaji number：J1.811.523I

N-[4-Oxo-4-[bis[3-(D-gluconoylamino)propyl]amino]butyryl]-L-glutamic acid didecyl ester

N-[4-オキソ-4-[ビス[3-(D-グルコノイルアミノ)プロピル]アミノ]ブチリル]-L-グルタミン酸ジデシル
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： C47H88N4O18
Molecular formula furigana： C47-H88-N4-O18
Molecular weight： 997.231
InChI： InChI=1S/C47H88N4O18/c1-3-5-7-9-11-13-15-17-29-68-38(58)24-21-33(47(67)69-30-18-16-14-12-10-8-6-4-2)50-36(56)22-23-37(57)51(27-19-25-48-45(65)43(63)41(61)39(59)34(54)31-52)28-20-26-49-46(66)44(64)42(62)40(60)35(55)32-53/h33-35,39-44,52-55,59-64H,3-32H2,1-2H3,(H,48,65)(H,49,66)(H,50,56)/t33-,34+,35+,39+,40+,41-,42-,43+,44+/m0/s1
InChI key： KUHBUCFIYPIHTE-IHSBQFCLSA-N
SMILES： CCCCCCCCCCOC(=O)CC[C@H](NC(=O)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)OCCCCCCCCCC
Systematic name  (3)：
  • N-[4-オキソ-4-[ビス[3-(D-グルコノイルアミノ)プロピル]アミノ]ブチリル]-L-グルタミン酸ジデシル
  • 1,5-ビス(デシル) (2S)-2-{3-[ビス({3-[(2R,3S,4R,5R)-2,3,4,5,6-ペンタヒドロキシヘキサンアミド]プロピル})カルバモイル]プロパンアミド}ペンタンジオアート
  • 1,5-bis(decyl) (2S)-2-{3-[bis({3-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido]propyl})carbamoyl]propanamido}pentanedioate
Other name (1)：
  • N-[4-Oxo-4-[bis[3-(D-gluconoylamino)propyl]amino]butyryl]-L-glutamic acid didecyl ester
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