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NRP : Summary
Code
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NRP
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One-letter code
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LYG
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Molecule name
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{4-[(4-hydroxyphenyl)methylidene]-2-[(1E)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
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Synonyms
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CHROMOPHORE (LEU-TYR-GLY)
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Systematic names
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Formula
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C17 H19 N3 O4
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Formal charge
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0
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Molecular weight
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329.35 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C1C(\N=C(C(=[N@H])CC(C)C)N1CC(=O)O)=C/c2ccc(O)cc2 |
SMILES
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CACTVS |
3.370 |
CC(C)CC(=N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CC(C)CC(=N)C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O |
Canonical SMILES
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CACTVS |
3.370 |
CC(C)CC(=N)C1=NC(=C/c2ccc(O)cc2)/C(=O)N1CC(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
[H]/N=C(\CC(C)C)/C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O |
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IUPAC InChI | InChI=1S/C17H19N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,8,10,18,21H,7,9H2,1-2H3,(H,22,23)/b14-8+,18-13+ |
IUPAC InChI key | BJIZAOIYQSFLFE-VHQTWSSFSA-N |
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wwPDB Information |
Atom count
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43 (24 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-peptide linking
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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LEU
TYR
GLY
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Defined at
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2010-04-07
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Last modified at
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2023-11-03
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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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