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GPN : Summary
Code
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GPN
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One-letter code
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X
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Molecule name
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2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE
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Systematic names
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Formula
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C11 H16 N7 O4
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Formal charge
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1
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Molecular weight
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310.289 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC[NH3+] |
SMILES
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CACTVS |
3.370 |
NC1=Nc2n(CC(=O)N(CC[NH3+])CC(O)=O)cnc2C(=O)N1 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O)N=C(NC2=O)N |
Canonical SMILES
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CACTVS |
3.370 |
NC1=Nc2n(CC(=O)N(CC[NH3+])CC(O)=O)cnc2C(=O)N1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O)N=C(NC2=O)N |
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IUPAC InChI | InChI=1S/C11H15N7O4/c12-1-2-17(4-7(20)21)6(19)3-18-5-14-8-9(18)15-11(13)16-10(8)22/h5H,1-4,12H2,(H,20,21)(H3,13,15,16,22)/p+1 |
IUPAC InChI key | WYRWRGIGYVLOGE-UHFFFAOYSA-O |
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wwPDB Information |
Atom count
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38 (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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PEPTIDE-LIKE
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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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1999-07-08
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Last modified at
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2024-09-27
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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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