(4S,7R,8S,11R,18S,21R,22S,25R)-7,11,21-Trimethyl-4-(1-methylethyl)-18-[(1S)-1-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®

81120-74-3

CAS Name

(4S,7R,8S,11R,18S,21R,22S,25R)-7,11,21-Trimethyl-4-(1-methylethyl)-18-[(1S)-1-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

C37H46N8O6S2

Molecular Mass

762.94

Cite this Page

(4S,7R,8S,11R,18S,21R,22S,25R)-7,11,21-Trimethyl-4-(1-methylethyl)-18-[(1S)-1-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=81120-74-3 (retrieved 2024-11-14) (CAS RN: 81120-74-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)/t18-,19+,20+,21+,23+,26-,27-,28-,29-/m0/s1

InChIKey

InChIKey=CFXBLGFMQUFLKS-FUEDQDKVSA-N

SMILES

[C@@H](CC)(C)[C@]1(C2=N[C@@]([C@@H](C)O2)(C(=O)N[C@H](CC3=CC=CC=C3)C4=NC(=CS4)C(=O)N[C@@H](C(C)C)C5=N[C@](C(=O)N[C@H](C)C6=NC(C(=O)N1)=CS6)([C@@H](C)O5)[H])[H])[H]

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)C(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-4-(1-methylethyl)-18-[(1S)-1-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-4-(1-methylethyl)-18-(1-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-1-(1-methylethyl)-15-(1-methylpropyl)-22-(phenylmethyl)-, [1S,8R,15S(S),22R]-
  • (4S,7R,8S,11R,18S,21R,22S,25R)-7,11,21-Trimethyl-4-(1-methylethyl)-18-[(1S)-1-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 C

CAS INSIGHTSTM
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