CAS 3056740-00-9 to numer rejestracyjny substancji PL-13. Oferty producentów: MedChemExpress. Dostępne opakowania: Get quote.
[(1R,2R,3R,11S,12R,14R,26R)-6'-[(2-aminoacetyl)amino]-12-cyano-5-hydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate (CAS 3056740-00-9) to związek chemiczny o wzorze sumarycznym C42H46N6O10S i masie molowej 826.9 g/mol. Nazwa systematyczna IUPAC: [(1R,2R,3R,11S,12R,14R,26R)-6'-[(2-aminoacetyl)amino]-12-cyano-5-hydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate. InChIKey: IZLQPBHNFFHSQS-GTSMFDSBSA-N.
| Wzór sumaryczny | C42H46N6O10S |
|---|---|
| Masa molowa | 826.9 g/mol |
| Nazwa IUPAC | [(1R,2R,3R,11S,12R,14R,26R)-6'-[(2-aminoacetyl)amino]-12-cyano-5-hydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate |
| InChIKey | IZLQPBHNFFHSQS-GTSMFDSBSA-N |
| SMILES | CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)C#N)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)NC(=O)CN)OC)OCO7)C)OC(=O)C)C(=C1OC)O |
Dane obliczone przez PubChem (NCBI)