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Y41 : Summary
Code ![](/pdbe/static/images/help.png)
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Y41
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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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3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
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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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C20 H20 N2 O
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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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304.386 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 |
O=C(c1cccc(N)c1C)NC(C)c2cccc3c2cccc3 |
SMILES
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CACTVS |
3.385 |
C[CH](NC(=O)c1cccc(N)c1C)c2cccc3ccccc23 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1c(cccc1N)C(=O)NC(C)c2cccc3c2cccc3 |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@H](NC(=O)c1cccc(N)c1C)c2cccc3ccccc23 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1c(cccc1N)C(=O)N[C@H](C)c2cccc3c2cccc3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C20H20N2O/c1-13-16(10-6-12-19(13)21)20(23)22-14(2)17-11-5-8-15-7-3-4-9-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PZEBTCMUWPLVEX-CQSZACIVSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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43 (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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non-polymer
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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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2020-08-04
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Last modified at ![](/pdbe/static/images/help.png)
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2020-08-07
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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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