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Setmelanotide hydrochloride (USAN)

PropertiesImageOccurences in reactions
MNX_IDMNXM1112505Image of MNXM1112505
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC49H69ClN18O9S2
charge0
mass1152.46249
referencekeggD:D11929
InChIKeyMANLVWQYYRHWLE-MFEUVIKKSA-N
InChIInChI=1S/C49H68N18O9S2.ClH/c1-26-41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(19-29-21-58-32-13-7-6-12-31(29)32)45(74)66-38(40(50)69)23-77-78-24-39(47(76)60-26)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52;/h3-7,10-13,21-22,25-26,33-39,58H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57);1H/t26-,33+,34+,35-,36+,37+,38+,39-;/m1./s1
SMILESCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](C)NC1=O.Cl
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Similar chemical compounds in external resources
IdentifierDescription
kegg.drug:D11929
keggD:D11929
Setmelanotide hydrochloride (USAN)
keggD:M_D11929 secondary/obsolete/fantasy identifier