A1H2I
Summary
| Name: | (2~{S})-2-azanyl-3-[(3~{S})-5-oxidanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]propanoic acid |
| Formula: | C11 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 236.224 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[(3~{S})-5-oxidanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2O4/c12-8(11(16)17)4-7-6-3-5(14)1-2-9(6)13-10(7)15/h1-3,7-8,14H,4,12H2,(H,13,15)(H,16,17)/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.06 | IXNGTLBBIIEEIO-YUMQZZPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C[C@@H]1C(=O)Nc2ccc(O)cc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](C[CH]1C(=O)Nc2ccc(O)cc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)[C@@H](C(=O)N2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)C(C(=O)N2)CC(C(=O)O)N |
