| PDB CCD ID: | Q5G |
| Number of entries in BioLiP: | 12 |
| Chemical formula: | C14 H16 N2 O5 S |
| InChI: | InChI=1S/C14H16N2O5S/c15-14(20)11-7-16(9-3-1-2-4-10(9)21-11)12(17)8-22-6-5-13(18)19/h1-4,11H,5-8H2,(H2,15,20)(H,18,19)/t11-/m1/s1 |
| InChIKey: | SDNYVGUVTOZEQL-LLVKDONJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)N(CC(O2)C(=O)N)C(=O)CSCCC(=O)O | | ACDLabs 12.01 | C(=O)(O)CCSCC(N2c1c(cccc1)OC(C2)C(N)=O)=O | | CACTVS 3.385 | NC(=O)[CH]1CN(C(=O)CSCCC(O)=O)c2ccccc2O1 | | CACTVS 3.385 | NC(=O)[C@H]1CN(C(=O)CSCCC(O)=O)c2ccccc2O1 | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O |
|
| Name: | 3-({2-[(2R)-2-carbamoyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid |
| ZINC: | ZINC000025105584 |
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