CAS Number | 2641993-55-5 |
Synonyms | (3S)-N-[(2S)-1-[[(8S,14S)-22-ethyl-21-[2-[(1S)-1-methoxyethyl]pyridin-3-yl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.12,6.110,14.023,27]nonacosa-1(26),2,4,6(29),20,23(27),24-heptaen-8-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-(4-morpholin-4-ylbut-2-ynoyl)pyrrolidine-3-carboxamide
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Molecular Formula | C56H72N8O8 |
Purity | ≥95% |
IUPAC Name | (3S)-N-[(2S)-1-[[(8S,14S)-22-ethyl-21-[2-[(1S)-1-methoxyethyl]pyridin-3-yl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.12,6.110,14.023,27]nonacosa-1(26),2,4,6(29),20,23(27),24-heptaen-8-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-(4-morpholin-4-ylbut-2-ynoyl)pyrrolidine-3-carboxamide |
InChI | InChI=1S/C56H72N8O8/c1-9-63-47-20-19-40-32-43(47)44(51(63)42-16-11-22-57-49(42)37(4)70-8)33-56(5,6)35-72-55(69)45-17-12-24-64(59-45)54(68)46(31-38-14-10-15-39(40)30-38)58-52(66)50(36(2)3)60(7)53(67)41-21-25-62(34-41)48(65)18-13-23-61-26-28-71-29-27-61/h10-11,14-16,19-20,22,30,32,36-37,41,45-46,50,59H,9,12,17,21,23-29,31,33-35H2,1-8H3,(H,58,66)/t37-,41-,45-,46-,50-/m0/s1 |
InChIKey | KXMPBNBAZLJBDS-GUZCBZAASA-N |
SMILES | CCN1C2=C3C=C(C=C2)C4=CC=CC(=C4)C[C@@H](C(=O)N5CCC[C@H](N5)C(=O)OCC(CC3=C1C6=C(N=CC=C6)[C@H](C)OC)(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]7CCN(C7)C(=O)C#CCN8CCOCC8 |
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