G8M
Summary
| Name: | (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid |
| Synonyms: | (2S,1'R,2'S)-2-(2'-carboxycyclobutyl)glycine |
| Formula: | C7 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 173.167 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (1S,2R)-2-[(1S)-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]cyclobutane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C1CCC1C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1 |
| InChIKey | InChI | 1.03 | SRAFHGOPGVYULO-WISUUJSJSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H]([C@@H]1CC[C@@H]1C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH]([CH]1CC[CH]1C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CC(C1C(C(=O)O)N)C(=O)O |
