Largazole

CAS Registry Number®

1009815-87-5

CAS Name

Largazole

Molecular Formula

C29H42N4O5S3

Molecular Mass

622.86

Cite this Page

Largazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1009815-87-5 (retrieved 2024-11-22) (CAS RN: 1009815-87-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1

InChIKey

InChIKey=AXESYCSCGBQJBL-SZPBEECKSA-N

SMILES

C[C@@]12N=C(C=3N=C(SC3)CNC(=O)C[C@@H](/C=C/CCSC(CCCCCCC)=O)OC(=O)[C@H]([C@H](C)C)NC1=O)SC2

Canonical SMILES

O=C(SCCC=CC1OC(=O)C(NC(=O)C2(N=C(SC2)C=3N=C(SC3)CNC(=O)C1)C)C(C)C)CCCCCCC

Other Names for this Substance

  • Octanethioic acid, S-[(3E)-4-[(5R,8S,11S)-5-methyl-8-(1-methylethyl)-6,9,13-trioxo-10-oxa-3,17-dithia-7,14,19,20-tetraazatricyclo[14.2.1.12,5]eicosa-2(20),16(19),18-trien-11-yl]-3-buten-1-yl] ester
  • Largazole
  • (+)-Largazole
  • S-[(E)-4-[(5R,8S,11S)-8-Isopropyl-5-methyl-6,9,13-trioxo-10-oxa-3,17-dithia-7,14,19,20-tetraazatricyclo[14.2.1.12,5]eicosa-1(18),2(20),16(19)-trien-11-yl]but-3-en-1-yl] octanethioate

CAS INSIGHTSTM
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