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Substance Name: Catestatin
RN: 197151-46-5
InChIKey: VNFWSNGCDNCFNT-HVZFAYPJSA-N

Molecular Weight

  • 2326.7026
 
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Names and Synonyms

  • Catestatin

Registry Numbers

CAS Registry Number

  • 197151-46-5

Other Registry Number

  • 313334-22-4

System Generated Number

  • 0197151465

Structure Descriptors

InChI

1S/C104H164N32O27S/c1-56(2)45-71(130-91(152)66(25-14-15-38-105)125-93(154)70(37-44-164-7)127-97(158)76(54-138)133-86(147)64(106)53-137)94(155)134-77(55-139)98(159)131-74(48-61-23-12-9-13-24-61)96(157)126-68(28-18-41-116-104(112)113)90(151)120-58(5)84(145)123-67(27-17-40-115-103(110)111)89(150)121-59(6)85(146)129-72(49-62-31-33-63(140)34-32-62)88(149)117-50-81(142)122-73(47-60-21-10-8-11-22-60)95(156)124-65(26-16-39-114-102(108)109)87(148)118-51-82(143)135-42-19-29-78(135)99(160)119-52-83(144)136-43-20-30-79(136)100(161)128-69(35-36-80(107)141)92(153)132-75(101(162)163)46-57(3)4/h8-13,21-24,31-34,56-59,64-79,137-140H,14-20,25-30,35-55,105-106H2,1-7H3,(H2,107,141)(H,117,149)(H,118,148)(H,119,160)(H,120,151)(H,121,150)(H,122,142)(H,123,145)(H,124,156)(H,125,154)(H,126,157)(H,127,158)(H,128,161)(H,129,146)(H,130,152)(H,131,159)(H,132,153)(H,133,147)(H,134,155)(H,162,163)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)/t58-,59-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1

InChIKey

VNFWSNGCDNCFNT-HVZFAYPJSA-N

Smiles

C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N3CCC[C@H]3C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N