193
Summary
| Name: | (2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACID |
| Formula: | C7 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 189.212 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-4-(beta-alanylamino)-2-aminobutanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCNC(=O)CCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCC(=O)NCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | NCCC(=O)NCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CNC(=O)CCN)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CNC(=O)CCN)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H15N3O3/c8-3-1-6(11)10-4-2-5(9)7(12)13/h5H,1-4,8-9H2,(H,10,11)(H,12,13)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | ZTTQHTAQUGLWNQ-YFKPBYRVSA-N |
