APH
Summary
| Name: | P-AMIDINOPHENYL-3-ALANINE |
| Synonyms: | D-BETA(4-AMIDINOPHENYL)-ALANINE |
| Formula: | C10 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 207.229 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-carbamimidoyl-D-phenylalanine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(4-carbamimidoylphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc1ccc(cc1)C(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](Cc1ccc(cc1)C(N)=N)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(cc1)C(N)=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@H](C(=O)O)N)C(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(C(=O)O)N)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | XPRCPVGCTGELMN-MRVPVSSYSA-N |
