P0M
Summary
| Name: | (2~{S})-2-azanyl-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid |
| Formula: | C12 H11 N O5 |
| Formal charge: | 0 |
| Formula weight: | 249.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-2-azanyl-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H11NO5/c13-9(12(16)17)3-6-4-11(15)18-10-5-7(14)1-2-8(6)10/h1-2,4-5,9,14H,3,13H2,(H,16,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | UURZOUPNUFWGBS-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1O)OC(=O)C=C2C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1O)OC(=O)C=C2CC(C(=O)O)N |
