DBZ
Summary
| Name: | 3-(BENZOYLAMINO)-L-ALANINE |
| Formula: | C10 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 208.214 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[(phenylcarbonyl)amino]-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-benzamido-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCC(C(=O)O)N)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CNC(=O)c1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CNC(=O)c1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)NC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)NCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2O3/c11-8(10(14)15)6-12-9(13)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)(H,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | BMHTVISVLHMFTC-QMMMGPOBSA-N |
