F7Q
Summary
| Name: | (2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid |
| Formula: | C9 H11 N O5 |
| Formal charge: | 0 |
| Formula weight: | 213.187 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO5/c10-7(8(12)13)5-9(15-14)3-1-6(11)2-4-9/h1-4,7,14H,5,10H2,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | ASMCASJKXVEEBU-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC1(OO)C=CC(=O)C=C1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC1(OO)C=CC(=O)C=C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1=CC(C=CC1=O)(CC(C(=O)O)N)OO |
