N-[(1S,2R,3E)-1-[[(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanamide

CAS Registry Number®

474943-06-1

CAS Name

N-[(1S,2R,3E)-1-[[(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanamide

Molecular Formula

C48H81N5O16

Molecular Mass

984.18

Cite this Page

N-[(1S,2R,3E)-1-[[(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=474943-06-1 (retrieved 2024-11-22) (CAS RN: 474943-06-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H81N5O16/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-35(56)33(31-65-47-45(62)43(60)46(37(30-55)67-47)68-48-44(61)42(59)41(58)36(29-54)66-48)50-38(57)25-22-19-16-13-11-14-17-20-23-28-49-32-26-27-34(53(63)64)40-39(32)51-69-52-40/h21,24,26-27,33,35-37,41-49,54-56,58-62H,2-20,22-23,25,28-31H2,1H3,(H,50,57)/b24-21+/t33-,35+,36+,37+,41-,42-,43+,44+,45+,46+,47+,48-/m0/s1

InChIKey

InChIKey=BMEDTTDNSALUFC-OXMKHARGSA-N

SMILES

N(CCCCCCCCCCCC(N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H](/C=C/CCCCCCCCCCCCC)O)=O)C=3C=4C(C(N(=O)=O)=CC3)=NON4

Canonical SMILES

O=C(NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCNC3=CC=C(C4=NON=C43)N(=O)=O

Other Names for this Substance

  • Dodecanamide, N-[(1S,2R,3E)-1-[[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-
  • Dodecanamide, N-[(1S,2R,3E)-1-[[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecenyl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-
  • N-[(1S,2R,3E)-1-[[(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanamide

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