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Substance Name: Msh, beta, (5-22)
RN: 17750-75-3
InChIKey: BSACAYSFBJBFSO-RYLVUJHESA-N

Molecular Formula

  • C98-H138-N28-O29-S

Molecular Weight

  • 2204.4012
 
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Names and Synonyms

Name of Substance

  • Msh, beta, (5-22)

Systematic Name

  • beta-Melanotropin (Macaca nemestrina)

Registry Numbers

CAS Registry Number

  • 17750-75-3

System Generated Number

  • 0017750753

Structure Descriptors

InChI

1S/C98H138N28O29S/c1-156-39-32-65(117-84(142)61(19-9-34-106-97(101)102)114-90(148)67(41-53-24-26-56(128)27-25-53)122-92(150)72-21-11-36-124(72)76(130)49-110-82(140)63(28-30-77(131)132)113-81(139)58(100)44-79(135)136)88(146)116-64(29-31-78(133)134)87(145)121-69(43-55-47-105-51-111-55)91(149)119-66(40-52-14-3-2-4-15-52)89(147)115-62(20-10-35-107-98(103)104)85(143)120-68(42-54-46-108-59-17-6-5-16-57(54)59)83(141)109-48-75(129)112-71(50-127)94(152)126-38-13-23-74(126)95(153)125-37-12-22-73(125)93(151)118-60(18-7-8-33-99)86(144)123-70(96(154)155)45-80(137)138/h2-6,14-17,24-27,46-47,51,58,60-74,108,127-128H,7-13,18-23,28-45,48-50,99-100H2,1H3,(H,105,111)(H,109,141)(H,110,140)(H,112,129)(H,113,139)(H,114,148)(H,115,147)(H,116,146)(H,117,142)(H,118,151)(H,119,149)(H,120,143)(H,121,145)(H,122,150)(H,123,144)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,154,155)(H4,101,102,106)(H4,103,104,107)/t58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1

InChIKey

BSACAYSFBJBFSO-RYLVUJHESA-N

Smiles

[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN/C(=N/[H])/N)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)NCC(=O)N[C@@H](CO)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](Cc7ccc(cc7)O)NC(=O)[C@@H]8CCCN8C(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N