Y24
Summary
| Name: | 1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one) |
| Formula: | C30 H47 N5 O5 |
| Formal charge: | 0 |
| Formula weight: | 557.725 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one) |
| OpenEye OEToolkits | 2.0.7 | 1-[(3~{R},5~{S},7~{S},9~{R})-3,5,7,9-tetrakis(2-oxidanylidenepyrrolidin-1-yl)decyl]pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(N1CCCC1=O)CC(CC(CC(N2CCCC2=O)CCN3CCCC3=O)N4C(=O)CCC4)N5CCCC5=O |
| InChI | InChI | 1.03 | InChI=1S/C30H47N5O5/c1-22(32-14-3-8-27(32)37)19-24(34-16-5-10-29(34)39)21-25(35-17-6-11-30(35)40)20-23(33-15-4-9-28(33)38)12-18-31-13-2-7-26(31)36/h22-25H,2-21H2,1H3/t22-,23-,24+,25+/m1/s1 |
| InChIKey | InChI | 1.03 | NCEAZVHIMHJKAN-NGSHPTGOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](C[C@@H](C[C@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O |
| SMILES | CACTVS | 3.385 | C[CH](C[CH](C[CH](C[CH](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C[C@@H](C[C@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CC(CC(CC(CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O |
