K-252a, Nocardiopsis sp.
methyl (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
Also Known As: Staurosporine aglycone|Antibiotic K 252a|K-252a, Nocardiopsis sp.|K252a|k-252a deriva-tives|k-252a|GTPL336|BDBM2580|3'-(S)-epi-K-252a|K 252a|SDCCGSBI-0086768.P003|(-)-K-252a|InSolution™ K-252a, Nocardiopsis sp.|methyl hydroxy-methyl-oxo-[?]carboxylate|(+)-K-252A|K 252|methyl (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate|(9R)-2,3,9,10,11,12-Hexahydro-10beta-hydroxy-9-methyl-1-oxo-9alpha,12alpha-epoxy-1H-diindolo[1,2,3-fg:3 ,2 ,1 -kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid methyl ester|methyl (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaene-16-carboxylate|methyl (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1(26),2(6),7(27),8(13),9,11,20,22,24-nonaene-16-carboxylate|methyl (16S,18S,15R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo [12.11.2.1<15,18>.0<2,6>.0<7,27>.0<8,13>.0<19,26>.0<20,25>]octacosa-1(26),2(6) ,7(27),8,10,12,20(25),21,23-nonaene-16-carboxylate|methyl(5r,6s,8s)-6-hydroxy-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13h-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate
| Molecular Formula | C27H21N3O5 |
|---|---|
| Molecular Weight | 467.14813 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 467.14813 |
| Monoisotopic Mass | 467.14813 |
| Heavy Atoms | 35 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 99533-80-9 |
|---|---|
| SMILES | C[C@]12[C@@](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O |
| InChIKey | KOZFSFOOLUUIGY-IYYJOCMQSA-N |
Product Overview
K-252a, Nocardiopsis sp. (CAS 99533-80-9), with molecular formula C27H21N3O5 and molecular weight 467.14813 g/mol. IUPAC: methyl (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate.
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