Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxooctadecyl)-L-ornithine]-

CAS Registry Number®

54651-06-8
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CAS Name

Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxooctadecyl)-L-ornithine]-

Molecular Formula

C52H85N7O16

Molecular Mass

1064.27

Cite this Page

Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxooctadecyl)-L-ornithine]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54651-06-8 (retrieved 2024-06-17) (CAS RN: 54651-06-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H85N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)

InChIKey

InChIKey=CSFSSKWGOYOSPM-UHFFFAOYSA-N

SMILES

O=C1N2C(C(O)C(C)C2)C(=O)NC(O)C(O)CC(NC(CCCCCCCCCCCCCCCCC)=O)C(=O)NC(C(C)O)C(=O)N3C(C(=O)NC(C(C(O)C4=CC=C(O)C=C4)O)C(=O)NC1C(C)O)CC(O)C3

Canonical SMILES

O=C(NC1C(=O)NC(C(=O)N2CC(O)CC2C(=O)NC(C(=O)NC(C(=O)N3CC(C)C(O)C3C(=O)NC(O)C(O)C1)C(O)C)C(O)C(O)C4=CC=C(O)C=C4)C(O)C)CCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxooctadecyl)-L-ornithine]-
  • 1H-Dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacycloheneicosine, cyclic peptide deriv.
  • Echinocandin B, tetrahydro-
  • Tetrahydroechinocandin B
  • Tetrahydro A-30912A

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Deleted or Replaced CAS Registry Numbers

61229-62-7, 62817-27-0

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