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Substance Name: Perisulfakinin
RN: 125131-58-0
InChIKey: CEVHBPUISQUUSQ-BHEJXMHWSA-N

Molecular Weight

  • 1523.6194
 
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Names and Synonyms

Name of Substance

  • Perisulfakinin

Synonym

  • Glu-gln-phe H-asp-asp-tyr(SO3H)-gly-his-met-arg-phe-NH2

Systematic Name

  • Leucosulfakinin I, 4-L-aspartic acid-

Registry Numbers

CAS Registry Number

  • 125131-58-0

System Generated Number

  • 0125131580

Structure Descriptors

InChI

1S/C64H86N18O22S2/c1-105-24-22-42(59(96)76-40(13-8-23-71-64(68)69)57(94)78-43(54(67)91)25-34-9-4-2-5-10-34)77-61(98)46(28-37-31-70-33-73-37)74-50(84)32-72-56(93)44(27-36-14-16-38(17-15-36)104-106(101,102)103)79-62(99)47(29-52(87)88)82-63(100)48(30-53(89)90)81-60(97)45(26-35-11-6-3-7-12-35)80-58(95)41(19-20-49(66)83)75-55(92)39(65)18-21-51(85)86/h2-7,9-12,14-17,31,33,39-48H,8,13,18-30,32,65H2,1H3,(H2,66,83)(H2,67,91)(H,70,73)(H,72,93)(H,74,84)(H,75,92)(H,76,96)(H,77,98)(H,78,94)(H,79,99)(H,80,95)(H,81,97)(H,82,100)(H,85,86)(H,87,88)(H,89,90)(H4,68,69,71)(H,101,102,103)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1

InChIKey

CEVHBPUISQUUSQ-BHEJXMHWSA-N

Smiles

CSCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc3ccc(cc3)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)N