
| CAS Number | 10466-28-1 |
| Catalog Number | AG003ASF(AGN-PC-0OTO2A) |
| Chemical Name | alpha-MSH (free acid) |
| IUPAC Name | 4-[[2-[[2-[[2-[(2-acetamido-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[1-[[1-[[1-[[1-[[2-[[6-amino-1-[2-[(1-carboxy-2-methylpropyl)carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C77H108N20O20S/c1-42(2)64(76(116)117)96-74(114)61-20-13-30-97(61)75(115)54(18-10-11-28-78)87-62(102)38-84-65(105)57(34-46-36-83-50-17-9-8-16-49(46)50)93-66(106)51(19-12-29-82-77(79)80)88-69(109)55(32-44-14-6-5-7-15-44)91-71(111)58(35-47-37-81-41-85-47)94-67(107)52(25-26-63(103)104)89-68(108)53(27-31-118-4)90-73(113)60(40-99)95-70(110)56(33-45-21-23-48(101)24-22-45)92-72(112)59(39-98)86-43(3)100/h5-9,14-17,21-24,36-37,41-42,51-61,64,83,98-99,101H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H,81,85)(H,84,105)(H,86,100)(H,87,102)(H,88,109)(H,89,108)(H,90,113)(H,91,111)(H,92,112)(H,93,106)(H,94,107)(H,95,110)(H,96,114)(H,103,104)(H,116,117)(H4,79,80,82) |
| InChI Key | MBBQINYFFIKILA-UHFFFAOYSA-N |
| MDL Number | MFCD00167725 |
| Molecular Formula | C77H108N20O20S |
| Molecular Weight | 1665.8684 |
| SMILES | CC([C@H](N[C@]([C@@H]1CCCN1C([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(C)=O)CO)=O)CC6=CC=C(O)C=C6)=O)CO)=O)CCSC)=O)CCC(O)=O)=O)CC5=CNC=N5)=O)CC4=CC=CC=C4)=O)CCCNC(N)=N)=O)CC3=CNC2=CC=CC=C23)=O)=O)CCCCN)=O)=O)C(O)=O)C |
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