P3Q
Summary
| Name: | 2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine |
| Formula: | C21 H24 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 384.426 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E)-1-oxo-6-phenyl-hex-2-en-3-yl]amino]phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | N[C@@H](Cc1cc(NC(/CCCc2ccccc2)=C/C=O)c(O)cc1O)C(O)=O |
| SMILES | CACTVS | 3.352 | N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CCC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CCCC(=CC=O)Nc2cc(c(cc2O)O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | HHNJWLBRCQJYIP-NDCSFFLDSA-N |
