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C67 : Summary
Code
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C67
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One-letter code
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R
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Molecule name
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N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine
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Systematic names
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Formula
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C9 H18 N4 O4
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Formal charge
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0
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Molecular weight
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246.264 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
NC(C(=O)O)CCCN\C(=N)NCCC(O)=O |
SMILES
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CACTVS |
3.385 |
N[CH](CCCNC(=N)NCCC(O)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
C(CC(C(=O)O)N)CNC(=N)NCCC(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
N[C@@H](CCCNC(=N)NCCC(O)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCC(=O)O |
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IUPAC InChI | InChI=1S/C9H18N4O4/c10-6(8(16)17)2-1-4-12-9(11)13-5-3-7(14)15/h6H,1-5,10H2,(H,14,15)(H,16,17)(H3,11,12,13)/t6-/m0/s1 |
IUPAC InChI key | SGNRWCNMYREATQ-LURJTMIESA-N |
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wwPDB Information |
Atom count
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35 (17 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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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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2017-09-13
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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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