Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : EYP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H12N2O4S2/c17-13(18)3-1-11-15-7-5-8-10(6-9(7)21-11)22-12(16-8)2-4-14(19)20/h5-6H,1-4H2,(H,17,18)(H,19,20)
2 InChIKey InChI 1.03 RNLHVOCFLIRTNO-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 OC(CCc3sc2c(cc1c(sc(CCC(O)=O)n1)c2)n3)=O
4 SMILES CACTVS 3.385 OC(=O)CCc1sc2cc3sc(CCC(O)=O)nc3cc2n1
5 SMILES OpenEye OEToolkits 2.0.6 c1c2c(cc3c1nc(s3)CCC(=O)O)sc(n2)CCC(=O)O
6 Canonical SMILES CACTVS 3.385 OC(=O)CCc1sc2cc3sc(CCC(O)=O)nc3cc2n1
7 Canonical SMILES OpenEye OEToolkits 2.0.6 c1c2c(cc3c1nc(s3)CCC(=O)O)sc(n2)CCC(=O)O