HR7
Summary
| Name: | (3S)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid |
| Synonyms: | BETA-HOMOARGININE |
| Formula: | C7 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 188.228 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid |
| OpenEye OEToolkits | 1.7.2 | (3S)-3-azanyl-6-[bis(azanyl)methylideneamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(N)CCC/N=C(\N)N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCCN=C(N)N)CC(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCCN=C(N)N)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C(C[C@@H](CC(=O)O)N)CN=C(N)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(CC(CC(=O)O)N)CN=C(N)N |
| InChI | InChI | 1.03 | InChI=1S/C7H16N4O2/c8-5(4-6(12)13)2-1-3-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11) |
| InChIKey | InChI | 1.03 | VNWXCGKMEWXYBP-UHFFFAOYSA-N |
