9HD
1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one
Created: | 2017-05-11 |
Last modified: | 2020-06-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 82 |
Chiral Atom Count | 3 |
Bond Count | 86 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one |
Synonyms | Polyvinylpyrrolidone K15 |
Systematic Name (OpenEye OEToolkits) | 1-[(3~{R},5~{S},7~{R})-1,5,7,9-tetrakis(2-oxidanylidenepyrrolidin-1-yl)nonan-3-yl]-3~{H}-pyrrol-2-one |
Formula | C29 H43 N5 O5 |
Molecular Weight | 541.682 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1=CN(C(C1)=O)C(CC(CC(N2C(CCC2)=O)CCN3C(=O)CCC3)N4C(CCC4)=O)CCN5C(CCC5)=O |
SMILES | CACTVS | 3.385 | O=C1CCCN1CC[CH](C[CH](C[CH](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O |
SMILES | OpenEye OEToolkits | 2.0.6 | C1CC(=O)N(C1)CCC(CC(CC(CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O |
Canonical SMILES | CACTVS | 3.385 | O=C1CCCN1CC[C@H](C[C@@H](C[C@@H](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | C1CC(=O)N(C1)CC[C@H](C[C@@H](C[C@@H](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O |
InChI | InChI | 1.03 | InChI=1S/C29H43N5O5/c35-25-6-1-13-30(25)18-11-22(32-15-3-8-27(32)37)20-24(34-17-5-10-29(34)39)21-23(33-16-4-9-28(33)38)12-19-31-14-2-7-26(31)36/h3,15,22-24H,1-2,4-14,16-21H2/t22-,23-,24-/m1/s1 |
InChIKey | InChI | 1.03 | UBULRTDFHFSWCU-WXFUMESZSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137348824 |