J54
Summary
| Name: | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID |
| Formula: | C11 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 238.24 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-3-[(benzylcarbamoyl)amino]-2-hydroxypropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-hydroxy-3-(phenylmethylcarbamoylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)CNC(=O)NCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](CNC(=O)NCc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH](CNC(=O)NCc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNC(=O)NC[C@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNC(=O)NCC(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2O4/c14-9(10(15)16)7-13-11(17)12-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,15,16)(H2,12,13,17)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | KGFDIRSBGRVEFZ-SECBINFHSA-N |
