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Substance Name: SQ 31429
RN: 111394-11-7
InChIKey: VWOBAQCHQNVOSG-QOFFQMATSA-N

Molecular Weight

  • 1445.7738
 
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Names and Synonyms

Name of Substance

  • SQ 31429

Synonyms

  • Lys-arg-arg-trp-lys-lys-asp-phe-ile-ala-val
  • Lysyl-arginyl-arginyl-tryptophyl-lysyl-lysyl-asparaginyl-phenylalanyl-isoleucyl-alanyl-valine
  • SQ-31429

Registry Numbers

CAS Registry Number

  • 111394-11-7

System Generated Number

  • 0111394117

Structure Descriptors

InChI

1S/C68H112N22O13/c1-6-39(4)55(65(101)81-40(5)56(92)89-54(38(2)3)66(102)103)90-64(100)50(34-41-20-8-7-9-21-41)86-63(99)52(36-53(73)91)88-60(96)47(26-14-17-31-71)83-58(94)46(25-13-16-30-70)85-62(98)51(35-42-37-80-45-24-11-10-22-43(42)45)87-61(97)49(28-19-33-79-68(76)77)84-59(95)48(27-18-32-78-67(74)75)82-57(93)44(72)23-12-15-29-69/h7-11,20-22,24,37-40,44,46-52,54-55,80H,6,12-19,23,25-36,69-72H2,1-5H3,(H2,73,91)(H,81,101)(H,82,93)(H,83,94)(H,84,95)(H,85,98)(H,86,99)(H,87,97)(H,88,96)(H,89,92)(H,90,100)(H,102,103)(H4,74,75,78)(H4,76,77,79)/t39-,40-,44-,46-,47-,48-,49-,50-,51-,52-,54-,55-/m0/s1

InChIKey

VWOBAQCHQNVOSG-QOFFQMATSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N