UX8
Summary
| Name: | (2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid |
| Formula: | C11 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 220.225 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10+/m0/s1 |
| InChIKey | InChI | 1.03 | ITFHGBKXKUVKBW-VHSXEESVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]([C@H](O)c1c[nH]c2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]([CH](O)c1c[nH]c2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)[C@H]([C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)C(C(C(=O)O)N)O |
