Catalog Number:
AG009CGX
Chemical Name:
AZD-5582
CAS Number:
1258392-53-8
Molecular Formula:
C58H78N8O8
Molecular Weight:
1015.2887
MDL Number:
MFCD28411397
IUPAC Name:
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1S,2R)-2-[6-[[(1S,2R)-1-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]oxy]hexa-2,4-diynoxy]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C58H78N8O8/c1-37(59-3)53(67)61-49(39-21-9-7-10-22-39)57(71)65-31-19-29-45(65)55(69)63-51-43-27-15-13-25-41(43)35-47(51)73-33-17-5-6-18-34-74-48-36-42-26-14-16-28-44(42)52(48)64-56(70)46-30-20-32-66(46)58(72)50(40-23-11-8-12-24-40)62-54(68)38(2)60-4/h13-16,25-28,37-40,45-52,59-60H,7-12,19-24,29-36H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t37-,38-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1
InChI Key:
WLMCRYCCYXHPQF-ZVMUOSSASA-N
SMILES:
CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H](OCC#CC#CCO[C@@H]2Cc3c([C@@H]2NC(=O)[C@@H]2CCCN2C(=O)[C@H](C2CCCCC2)NC(=O)[C@@H](NC)C)cccc3)Cc2c1cccc2)C1CCCCC1)C
