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UGD : Summary
Code
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UGD
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One-letter code
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X
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Molecule name
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N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
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Systematic names
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Formula
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C15 H14 N4 O3
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Formal charge
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0
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Molecular weight
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298.297 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n1cncc(c1)CC(Nc3cccc(OC2NC(C2)=O)c3)=O |
SMILES
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CACTVS |
3.385 |
O=C1C[CH](N1)Oc2cccc(NC(=O)Cc3cncnc3)c2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(cc(c1)OC2CC(=O)N2)NC(=O)Cc3cncnc3 |
Canonical SMILES
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CACTVS |
3.385 |
O=C1C[C@H](N1)Oc2cccc(NC(=O)Cc3cncnc3)c2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cncnc3 |
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IUPAC InChI | InChI=1S/C15H14N4O3/c20-13(4-10-7-16-9-17-8-10)18-11-2-1-3-12(5-11)22-15-6-14(21)19-15/h1-3,5,7-9,15H,4,6H2,(H,18,20)(H,19,21)/t15-/m1/s1 |
IUPAC InChI key | SGVQMOZIVBYLOT-OAHLLOKOSA-N |
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wwPDB Information |
Atom count
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36 (22 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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2020-05-18
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Last modified at
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2020-05-22
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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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