4KJ
Summary
| Name: | (5E)-5-[(N-methoxy-N-methylcarbamimidoyl)imino]-L-norvaline |
| Formula: | C8 H16 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 216.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5E)-5-[(N-methoxy-N-methylcarbamimidoyl)imino]-L-norvaline |
| OpenEye OEToolkits | 1.7.6 | (2S,5E)-2-azanyl-5-(N-methoxy-N-methyl-carbamimidoyl)imino-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CC/C=N/C(=[N@H])N(OC)C |
| InChI | InChI | 1.03 | InChI=1S/C8H16N4O3/c1-12(15-2)8(10)11-5-3-4-6(9)7(13)14/h5-6,10H,3-4,9H2,1-2H3,(H,13,14)/b10-8-,11-5+/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | QNJBMUDCQGTHKO-SOKYQSCGSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CON(C)C(=N)N=CCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | CON(C)C(=N)N=CCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(/N=C/CC[C@@H](C(=O)O)N)\N(C)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(C(=N)N=CCCC(C(=O)O)N)OC |
