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NSU : Summary
Code ![](/pdbe/static/images/help.png)
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NSU
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C13 H18 N4 O6
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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326.305 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
OC(=O)CN(C1COCC1N)C(=O)CN1C=C(C)C(=O)NC1=O |
SMILES
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CACTVS |
3.385 |
CC1=CN(CC(=O)N(CC(O)=O)[CH]2COC[CH]2N)C(=O)NC1=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)C2COCC2N |
Canonical SMILES
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CACTVS |
3.385 |
CC1=CN(CC(=O)N(CC(O)=O)[C@H]2COC[C@@H]2N)C(=O)NC1=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2COC[C@@H]2N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H18N4O6/c1-7-2-16(13(22)15-12(7)21)3-10(18)17(4-11(19)20)9-6-23-5-8(9)14/h2,8-9H,3-6,14H2,1H3,(H,19,20)(H,15,21,22)/t8-,9-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VRGRCASITUVCPS-IUCAKERBSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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41 (23 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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peptide-like
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2022-04-07
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Last modified at ![](/pdbe/static/images/help.png)
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2023-11-03
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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