PDB CCD ID: | F7Q |
Number of entries in BioLiP: | 0 |
Chemical formula: | C9 H11 N O5 |
InChI: | 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: | ASMCASJKXVEEBU-ZETCQYMHSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.6 | C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO | CACTVS 3.385 | N[C@@H](CC1(OO)C=CC(=O)C=C1)C(O)=O | OpenEye OEToolkits 2.0.6 | C1=CC(C=CC1=O)(CC(C(=O)O)N)OO | CACTVS 3.385 | N[CH](CC1(OO)C=CC(=O)C=C1)C(O)=O |
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Name: | (2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid |