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Substance Name: Cn 412
RN: 148067-21-4
InChIKey: QKXOLPYOGCLSCP-TVQDNDAUSA-N

Note

  • 476-501 residues of subunit A-beta calcineurin; non-competitive inhibitor of calcineurin in vitro.

Molecular Formula

  • C124-H205-N39-O39-S2

Molecular Weight

  • 2930.3495
 
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Names and Synonyms

Name of Substance

  • Cn 412

Synonym

  • Cn-412

Systematic Name

  • L-Proline, L-isoleucyl-L-threonyl-L-seryl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alanyl-L-lysylglycyl-L-leucyl-L-alpha-aspartyl-L-arginyl-L-isoleucyl-L-asparaginyl-L-alpha-glutamyl-L-arginyl-L-methionyl-L-prolyl-L-prolyl-L-arginyl-L-arginyl-L-alpha-aspartyl-L-alanyl-L-methionyl-

Registry Numbers

CAS Registry Number

  • 148067-21-4

System Generated Number

  • 0148067214

Structure Descriptors

InChI

1S/C124H205N39O39S2/c1-12-62(5)94(129)112(191)160-96(66(9)165)114(193)158-83(60-164)110(189)157-82(55-67-26-15-14-16-27-67)120(200)202-93(175)40-37-75(148-99(178)68(126)36-39-89(168)169)102(181)143-64(7)97(176)146-70(28-17-18-44-125)101(180)142-59-88(167)145-81(54-61(3)4)119(199)201-92(174)41-38-76(151-109(188)79(57-87(128)166)156-113(192)95(63(6)13-2)159-107(186)74(32-22-48-141-124(136)137)147-100(179)69(127)56-90(170)171)106(185)150-71(29-19-45-138-121(130)131)104(183)154-78(43-53-204-11)115(194)162-50-24-34-85(162)117(196)161-49-23-33-84(161)111(190)152-73(31-21-47-140-123(134)135)103(182)149-72(30-20-46-139-122(132)133)105(184)155-80(58-91(172)173)108(187)144-65(8)98(177)153-77(42-52-203-10)116(195)163-51-25-35-86(163)118(197)198/h14-16,26-27,61-66,68-86,94-96,164-165H,12-13,17-25,28-60,125-127,129H2,1-11H3,(H2,128,166)(H,142,180)(H,143,181)(H,144,187)(H,145,167)(H,146,176)(H,147,179)(H,148,178)(H,149,182)(H,150,185)(H,151,188)(H,152,190)(H,153,177)(H,154,183)(H,155,184)(H,156,192)(H,157,189)(H,158,193)(H,159,186)(H,160,191)(H,168,169)(H,170,171)(H,172,173)(H,197,198)(H4,130,131,138)(H4,132,133,139)(H4,134,135,140)(H4,136,137,141)/t62-,63-,64-,65-,66+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,94-,95-,96-/m0/s1

InChIKey

QKXOLPYOGCLSCP-TVQDNDAUSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(=O)CC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC(=O)CC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N4CCC[C@H]4C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)N)NC(=O)[C@H](CCC(=O)O)N)N