AR7
Summary
| Name: | amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium |
| Formula: | C6 H17 N4 O2 |
| Formal charge: | 1 |
| Formula weight: | 177.225 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium |
| OpenEye OEToolkits | 1.7.0 | [azanyl-[[(4S)-4-azanyl-5,5-dihydroxy-pentyl]amino]methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(O)C(N)CCCN\C(=[NH2+])N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCCNC(N)=[NH2+])C(O)O |
| SMILES | CACTVS | 3.370 | N[CH](CCCNC(N)=[NH2+])C(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(C[C@@H](C(O)O)N)CNC(=[NH2+])N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(CC(C(O)O)N)CNC(=[NH2+])N |
| InChI | InChI | 1.03 | InChI=1S/C6H16N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4-5,11-12H,1-3,7H2,(H4,8,9,10)/p+1/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | GJQTZIGWTNAHJO-BYPYZUCNSA-O |
