AGM
5-METHYL-ARGININE
| Created: | 1999-07-08 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 1 |
| Atom Count | 30 |
| Chiral Atom Count | 2 |
| Bond Count | 29 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | 5-METHYL-ARGININE |
| Systematic Name (OpenEye OEToolkits) | [amino-[[(2S,5S)-5-amino-6-hydroxy-6-oxo-hexan-2-yl]amino]methylidene]azanium |
| Formula | C7 H17 N4 O2 |
| Molecular Weight | 189.235 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCC(N\C(=[NH2+])N)C |
| SMILES | CACTVS | 3.341 | C[CH](CC[CH](N)C(O)=O)NC(N)=[NH2+] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCC(C(=O)O)N)NC(=[NH2+])N |
| Canonical SMILES | CACTVS | 3.341 | C[C@@H](CC[C@H](N)C(O)=O)NC(N)=[NH2+] |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C[C@@H](CC[C@@H](C(=O)O)N)NC(=[NH2+])N |
| InChI | InChI | 1.03 | InChI=1S/C7H16N4O2/c1-4(11-7(9)10)2-3-5(8)6(12)13/h4-5H,2-3,8H2,1H3,(H,12,13)(H4,9,10,11)/p+1/t4-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | AATIXZODJZMQQA-WHFBIAKZSA-O |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 46906031 |
| ChEBI | CHEBI:40617 |
