YPB
Summary
| Name: | (4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione |
| Synonyms: | JJ-II-363A |
| Formula: | C27 H27 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 489.52 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccc2c(OCCOc3ccccc3COC(=O)C3=C(C)NC=4N(CC)C(=O)NC(=O)C=4C32)c1 |
| InChI | InChI | 1.06 | InChI=1S/C27H27N3O6/c1-4-30-24-23(25(31)29-27(30)33)22-18-10-9-15(2)13-20(18)35-12-11-34-19-8-6-5-7-17(19)14-36-26(32)21(22)16(3)28-24/h5-10,13,22,28H,4,11-12,14H2,1-3H3,(H,29,31,33)/t22-/m1/s1 |
| InChIKey | InChI | 1.06 | ILMBIUFRDHNTSS-JOCHJYFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)NC(=O)C2=C1NC(=C3[C@H]2c4ccc(C)cc4OCCOc5ccccc5COC3=O)C |
| SMILES | CACTVS | 3.385 | CCN1C(=O)NC(=O)C2=C1NC(=C3[CH]2c4ccc(C)cc4OCCOc5ccccc5COC3=O)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1C2=C([C@@H]3c4ccc(cc4OCCOc5ccccc5COC(=O)C3=C(N2)C)C)C(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1C2=C(C3c4ccc(cc4OCCOc5ccccc5COC(=O)C3=C(N2)C)C)C(=O)NC1=O |
