Butanoic acid, 3-methyl-, (2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester

CAS Registry Number®

116095-18-2

CAS Name

Butanoic acid, 3-methyl-, (2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester

Molecular Formula

C28H40N2O9

Molecular Mass

548.63

Cite this Page

Butanoic acid, 3-methyl-, (2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116095-18-2 (retrieved 2024-11-21) (CAS RN: 116095-18-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    151.6-152.9 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1

InChIKey

InChIKey=UIFFUZWRFRDZJC-SBOOETFBSA-N

SMILES

C(CCCCC)[C@@H]1[C@@H](OC(CC(C)C)=O)[C@H](C)OC(=O)[C@@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)[C@@H](C)OC1=O

Canonical SMILES

O=CNC1=CC=CC(C(=O)NC2C(=O)OC(C)C(OC(=O)CC(C)C)C(C(=O)OC2C)CCCCCC)=C1O

Other Names for this Substance

  • Butanoic acid, 3-methyl-, (2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester
  • Butanoic acid, 3-methyl-, 3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, [2R-(2R*,3S*,6S*,7R*,8R*)]-
  • 1,5-Dioxonane, butanoic acid deriv.
  • Antimycin A1b
  • (+)-Antimycin A1b

CAS INSIGHTSTM
Targeted protein degrader structure, illustration