M7V
Summary
| Name: | (1S,2R)-2-[(S)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid |
| Formula: | C10 H17 N O4 |
| Formal charge: | 0 |
| Formula weight: | 215.246 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2R)-2-[(S)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{R})-2-[(1~{S})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-1-butyl-cyclopropane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCCC1(C(C(C(O)=O)N)C1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H17NO4/c1-2-3-4-10(9(14)15)5-6(10)7(11)8(12)13/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | CJQORTJFEFUXDX-BYULHYEWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@@]1(C[C@H]1[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCC[C]1(C[CH]1[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@@]1(C[C@H]1[C@@H](C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC1(CC1C(C(=O)O)N)C(=O)O |
