4J5
Summary
| Name: | amino{[(3S)-3-amino-3-carboxypropyl]amino}methaniminium |
| Formula: | C5 H13 N4 O2 |
| Formal charge: | 1 |
| Formula weight: | 161.182 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | amino{[(3S)-3-amino-3-carboxypropyl]amino}methaniminium |
| OpenEye OEToolkits | 1.7.6 | [azanyl-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]amino]methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C(N)CCNC(=[N@H2+])N |
| InChI | InChI | 1.03 | InChI=1S/C5H12N4O2/c6-3(4(10)11)1-2-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/p+1/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | IFPQOXNWLSRZKX-VKHMYHEASA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCNC(N)=[NH2+])C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCNC(N)=[NH2+])C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CNC(=[NH2+])N)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CNC(=[NH2+])N)C(C(=O)O)N |
