Chem
J-GLOBAL ID:200907023086642565   Nikkaji number:J2.662.158E

1-[(Ile-Ile-Ile-Ile-Ile-)Amino]-3,6,9-trioxadecane

1-[(Ile-Ile-Ile-Ile-Ile-)アミノ]-3,6,9-トリオキサデカン
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: C37H72N6O8
Molecular formula furigana: C37-H72-N6-O8
Molecular weight: 729.017
InChI: InChI=1S/C37H72N6O8/c1-12-23(6)28(38)33(44)40-30(25(8)14-3)35(46)42-32(27(10)16-5)37(48)43-31(26(9)15-4)36(47)41-29(24(7)13-2)34(45)39-17-18-50-21-22-51-20-19-49-11/h23-32H,12-22,38H2,1-11H3,(H,39,45)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1
InChI key: ABZLALMBAAFKCB-CJMGQXRASA-N
SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCOCCOCCOC
Systematic name  (3):
  • 1-[(Ile-Ile-Ile-Ile-Ile-)アミノ]-3,6,9-トリオキサデカン
  • (2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-アミノ-3-メチルペンタンアミド]-3-メチルペンタンアミド]-3-メチルペンタンアミド]-3-メチルペンタンアミド]-N-{2-[2-(2-メトキシエトキシ)エトキシ]エチル}-3-メチルペンタンアミド
  • (2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylpentanamido]-3-methylpentanamido]-3-methylpentanamido]-N-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}-3-methylpentanamide
Other name (1):
  • 1-[(Ile-Ile-Ile-Ile-Ile-)Amino]-3,6,9-trioxadecane
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