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

120853-15-8

CAS Name

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

C38H48N8O6S2

Molecular Mass

776.97

Cite this Page

(4S,7R,8S,11R,18S,21R,22S,25R)-7,11,21-Trimethyl-4,18-bis[(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=120853-15-8 (retrieved 2024-11-25) (CAS RN: 120853-15-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H48N8O6S2/c1-8-18(3)27-35-45-29(21(6)51-35)33(49)39-20(5)37-41-25(16-53-37)31(47)43-28(19(4)9-2)36-46-30(22(7)52-36)34(50)40-24(15-23-13-11-10-12-14-23)38-42-26(17-54-38)32(48)44-27/h10-14,16-22,24,27-30H,8-9,15H2,1-7H3,(H,39,49)(H,40,50)(H,43,47)(H,44,48)/t18-,19-,20+,21+,22+,24+,27-,28-,29-,30-/m0/s1

InChIKey

InChIKey=HZUISCIYFHWTKA-WLCQTKGUSA-N

SMILES

C([C@@H]1C2=NC(=CS2)C(=O)N[C@@]([C@H](CC)C)(C3=N[C@@]([C@@H](C)O3)(C(=O)N[C@H](C)C4=NC(C(=O)N[C@@]([C@H](CC)C)(C5=N[C@](C(=O)N1)([C@@H](C)O5)[H])[H])=CS4)[H])[H])C6=CC=CC=C6

Canonical SMILES

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

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-4,18-bis[(1S)-1-methylpropyl]-25-(phenylmethyl)-, (4S,7R,8S,11R,18S,21R,22S,25R)-
  • Ulithiacyclamide, 1,15-de[dithiobis(methylene)]-8,22-dide(2-methylpropyl)-8-methyl-1,15-bis(1-methylpropyl)-22-(phenylmethyl)-, [1S(S),8R,15S(S),22R]-
  • (4S,7R,8S,11R,18S,21R,22S,25R)-7,11,21-Trimethyl-4,18-bis[(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 D
  • 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-4,18-bis(1-methylpropyl)-25-(phenylmethyl)-, [4S-[4R*(R*),7S*,8R*,11S*,18R*(R*),21S*,22R*,25S*]]-

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