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NBQ : Summary
Code ![](/pdbe/static/images/help.png)
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NBQ
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One-letter code ![](/pdbe/static/images/help.png)
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Y
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Molecule name ![](/pdbe/static/images/help.png)
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2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE
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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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C23 H22 N2 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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422.431 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 |
10.04 |
O=C(O)C(N)Cc3c(O)cc(O)c(N\C(=C\C=O)COc2cc1ccccc1cc2)c3 |
SMILES
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CACTVS |
3.341 |
N[CH](Cc1cc(NC(COc2ccc3ccccc3c2)=CC=O)c(O)cc1O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2cc(ccc2c1)OCC(=CC=O)Nc3cc(c(cc3O)O)CC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](Cc1cc(N\C(COc2ccc3ccccc3c2)=C\C=O)c(O)cc1O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2cc(ccc2c1)OC/C(=C\C=O)/Nc3cc(c(cc3O)O)C[C@@H](C(=O)O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PZWMZAFFUAWVDN-CQXYXCHQSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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53 (31 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Amino Acid
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Type description ![](/pdbe/static/images/help.png)
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L-PEPTIDE LINKING
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Type code ![](/pdbe/static/images/help.png)
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ATOMP
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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TYR
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Defined at ![](/pdbe/static/images/help.png)
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2004-03-08
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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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