
| CAS Number | 914454-01-6 |
| Catalog Number | AG00GU8G |
| Chemical Name | Exendin-4 (acetate) |
| IUPAC Name | (4S)-5-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[2-[2-[(2S)-2-[[[(2R)-1-[[(2R)-1-[2-[2-[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2R)-1-amino-3-hydroxypropan-2-yl]amino]methyl]pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]ethylamino]ethylamino]-3-hydroxypropan-2-yl]amino]-3-hydroxypropan-2-yl]amino]methyl]pyrrolidin-1-yl]ethylamino]ethylamino]-4-oxobutan-2-yl]amino]hexan-2-yl]amino]-4-methylpentan-2-yl]amino]ethylamino]-4-[[(2S,3S)-2-[2-[[(2S)-2-(ethylamino)-4-methylpentyl]amino]ethylamino]-3-methylpentyl]amino]pentanoic acid |
| InChI | InChI=1S/C76H159N22O6/c1-8-61(7)74(88-31-29-85-45-64(86-9-2)40-59(3)4)53-94-63(21-22-76(103)104)44-84-28-30-87-65(41-60(5)6)49-89-62(16-10-11-23-77)48-90-66(42-75(79)102)46-82-26-24-80-32-38-95-34-12-17-70(95)51-93-69(58-101)50-91-68(57-100)47-83-27-25-81-33-39-96-35-14-19-72(96)54-98-37-15-20-73(98)55-97-36-13-18-71(97)52-92-67(43-78)56-99/h2,28-29,33,59-74,80-94,99-101H,8-27,30-32,34-58,77-78H2,1,3-7H3,(H2,79,102)(H,103,104)/t61-,62-,63-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+/m0/s1 |
| InChI Key | PIJVPWRREHDVDN-IFKXHDEJSA-N |
| MDL Number | MFCD08704781 |
| Molecular Formula | C186H286N50O62S |
| Molecular Weight | 4246.6238 |
| SMILES | NC([C@H](CO)NC([C@@H]1CCCN1C([C@@H]2CCCN2C([C@@H]3CCCN3C([C@@H](NC(CNC([C@H](CO)NC([C@H](CO)NC([C@@H]4CCCN4C(CNC(CNC([C@H](CC(N)=O)NC([C@H](CCCCN)NC([C@H](CC(C)C)NC([C@@H](NC([C@H](CCC(O)=O)NC([C@@]([C@H](CC)C)([H])NC([C@@H](NC([C@H](CC(C)C)NC([C@H](CCCNC(N)=N)NC([C@H](C(C)C)NC([C@@H](NC([C@H](CCC(O)=O)NC([C@H](CCC(O)=O)NC([C@H](CCC(O)=O)NC([C@@H](NC([C@H](CCC(N)=O)NC([C@H](CCCCN)NC([C@H](CO)NC([C@H](CC(C)C)NC([C@@H](NC([C@H](CO)NC([C@@]([C@@H](C)O)([H])NC([C@@H](NC([C@@]([C@@H](C)O)([H])NC(CNC([C@H](CCC(O)=O)NC(CNC([C@@H](N[H])CC5=CN=CN5)=O)=O)=O)=O)=O)CC6=CC=CC=C6)=O)=O)=O)CC(O)=O)=O)=O)=O)=O)=O)CCSC)=O)=O)=O)=O)C)=O)=O)=O)=O)CC7=CC=CC=C7)=O)=O)=O)CC8=CNC9=C8C=CC=C9)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)C)=O)=O)=O)=O)=O.OC(C)=O |
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