Catalog Number:
AG00GU8G
Chemical Name:
Exendin-4 (Acetate)
CAS Number:
914454-01-6
Molecular Formula:
C76H159N22O6
Molecular Weight:
1477.2195
MDL Number:
MFCD08704781
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
SMILES:
NCCCC[C@H](NC[C@H](CC(C)C)NC[CH]NC[C@H](CCC(=O)O)NC[C@H]([C@H](CC)C)NC[CH]NC[C@H](CC(C)C)NC[CH])CN[C@@H](CC(=O)N)CNCCNCCN1CCC[C@H]1CN[C@H](CN[C@H](CNCCN[CH]CN1CCC[C@H]1CN1CCC[C@H]1CN1CCC[C@H]1CN[C@@H](CO)CN)CO)CO
