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2MR : Summary
Code
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2MR
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One-letter code
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R
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Molecule name
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N3, N4-DIMETHYLARGININE
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Systematic names
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Formula
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C8 H18 N4 O2
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Formal charge
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0
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Molecular weight
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202.254 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C(N)CCCN\C(=N/C)NC |
SMILES
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CACTVS |
3.341 |
CNC(NCCC[CH](N)C(O)=O)=NC |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CNC(=NC)NCCCC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
CNC(NCCC[C@H](N)C(O)=O)=NC |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CN/C(=N/C)/NCCC[C@@H](C(=O)O)N |
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IUPAC InChI | InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1 |
IUPAC InChI key | HVPFXCBJHIIJGS-LURJTMIESA-N |
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wwPDB Information |
Atom count
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32 (14 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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ARG
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Defined at
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2000-11-03
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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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