B2H
Summary
| Name: | Chromophore (Thr, Trp, Gly) |
| Formula: | C17 H20 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 344.365 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H20N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-5,7,9,15,19,22,25H,6,8,18H2,1H3,(H,23,24)/t9-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | ODPWJQMFRLIQAJ-PSLIRLAXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)[C@H](N)c1nc(Cc2c[nH]c3ccccc23)c(O)n1CC(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](N)c1nc(Cc2c[nH]c3ccccc23)c(O)n1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2cccc3)N)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2cccc3)N)O |
