99Y
Summary
| Name: | 4-carboxy-D-phenylalanine |
| Formula: | C10 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 209.199 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-carboxy-D-phenylalanine |
| OpenEye OEToolkits | 2.0.6 | 4-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(N)(Cc1ccc(C(=O)O)cc1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO4/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | YXDGRBPZVQPESQ-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](Cc1ccc(cc1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(cc1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C[C@H](C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CC(C(=O)O)N)C(=O)O |
