M3R
Summary
| Name: | Methyl phosphonated L-Arginine |
| Synonyms: | (2S)-5-carbamimidamido-2-[(hydroxy-methyl-phosphoryl)amino]pentanoic acid |
| Formula: | C7 H17 N4 O4 P |
| Formal charge: | 0 |
| Formula weight: | 252.208 Da |
| Component type: | L-peptide NH3 amino terminus |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~2~-[(R)-hydroxy(methyl)phosphoryl]-L-arginine |
| OpenEye OEToolkits | 1.5.0 | (2S)-5-carbamimidamido-2-[(hydroxy-methyl-phosphoryl)amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(NC(C(=O)O)CCCNC(=[N@H])N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[P@](O)(=O)N[C@@H](CCCNC(N)=N)C(O)=O |
| SMILES | CACTVS | 3.341 | C[P](O)(=O)N[CH](CCCNC(N)=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\N)/NCCC[C@@H](C(=O)O)N[P@@](=O)(C)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NCCCC(C(=O)O)NP(=O)(C)O |
| InChI | InChI | 1.03 | InChI=1S/C7H17N4O4P/c1-16(14,15)11-5(6(12)13)3-2-4-10-7(8)9/h5H,2-4H2,1H3,(H,12,13)(H4,8,9,10)(H2,11,14,15)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | BJBJPERGZRNAQZ-YFKPBYRVSA-N |
