(4S,7R,8S,11R,18S,21R,22S,25R)-7,11,21-Trimethyl-18-[(1S)-1-methylpropyl]-4-(2-methylpropyl)-25-(phenylmethyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone

CAS Registry Number®

81098-23-9
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CAS Name

(4S,7R,8S,11R,18S,21R,22S,25R)-7,11,21-Trimethyl-18-[(1S)-1-methylpropyl]-4-(2-methylpropyl)-25-(phenylmethyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone

Molecular Formula

C38H48N8O6S2

Molecular Mass

776.97

Cite this Page

(4S,7R,8S,11R,18S,21R,22S,25R)-7,11,21-Trimethyl-18-[(1S)-1-methylpropyl]-4-(2-methylpropyl)-25-(phenylmethyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81098-23-9 (retrieved 2024-08-19) (CAS RN: 81098-23-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H48N8O6S2/c1-8-19(4)28-36-46-30(22(7)52-36)34(50)41-25(15-23-12-10-9-11-13-23)38-43-26(17-54-38)31(47)40-24(14-18(2)3)35-45-29(21(6)51-35)33(49)39-20(5)37-42-27(16-53-37)32(48)44-28/h9-13,16-22,24-25,28-30H,8,14-15H2,1-7H3,(H,39,49)(H,40,47)(H,41,50)(H,44,48)

InChIKey

InChIKey=FDAPKNJHIHKHDM-UHFFFAOYSA-N

SMILES

C(CC)(C)C1C2=NC(C(C)O2)C(=O)NC(CC3=CC=CC=C3)C4=NC(=CS4)C(=O)NC(CC(C)C)C5=NC(C(=O)NC(C)C6=NC(C(=O)N1)=CS6)C(C)O5

Canonical SMILES

O=C1NC(C2=NC(C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(C(=O)NC(C5=NC1=CS5)CC=6C=CC=CC6)C(O4)C)C(C)CC)C)C(O2)C)CC(C)C

Other Names for this Substance

  • 6,20-Dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone, 7,11,21-trimethyl-18-[(1S)-1-methylpropyl]-4-(2-methylpropyl)-25-(phenylmethyl)-, (4S,7R,8S,11R,18S,21R,22S,25R)-
  • 6,20-Dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone, 7,11,21-trimethyl-18-(1-methylpropyl)-4-(2-methylpropyl)-25-(phenylmethyl)-, [4S-[4R*,7S*,8R*,11S*,18R*(R*),21S*,22R*,25S*]]-
  • Ulithiacyclamide, 1,15-de[dithiobis(methylene)]-8,22-dide(2-methylpropyl)-8-methyl-15-(1-methylpropyl)-1-(2-methylpropyl)-22-(phenylmethyl)-, [1S,8R,15S(S),22R]-
  • (4S,7R,8S,11R,18S,21R,22S,25R)-7,11,21-Trimethyl-18-[(1S)-1-methylpropyl]-4-(2-methylpropyl)-25-(phenylmethyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone
  • Patellamide B