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C48 : Summary
Code
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C48
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One-letter code
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X
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Molecule name
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N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-ETHYL)-SUCCINAMIDE
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Systematic names
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Formula
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C22 H26 N4 O4
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Formal charge
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0
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Molecular weight
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410.466 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(N(C)C)C(NC(=O)C(=O)CC(=O)NCCc1ncccc1)Cc2ccccc2 |
SMILES
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CACTVS |
3.341 |
CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CN(C)C(=O)C(Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2 |
Canonical SMILES
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CACTVS |
3.341 |
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2 |
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IUPAC InChI | InChI=1S/C22H26N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-/m0/s1 |
IUPAC InChI key | ZPFPZRVOBBMZMP-SFHVURJKSA-N |
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wwPDB Information |
Atom count
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56 (30 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-08-30
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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