Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : SV2    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H19N5O9P2/c12-11-14-9-8(10(17)15-11)13-4-16(9)1-7(2-24-5-26(18,19)20)3-25-6-27(21,22)23/h4,7H,1-3,5-6H2,(H2,18,19,20)(H2,21,22,23)(H3,12,14,15,17)
2 InChIKey InChI 1.03 VGXYLSOVNUSSKA-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=P(O)(O)COCC(COCP(=O)(O)O)Cn1c2NC(=NC(=O)c2nc1)N
4 SMILES CACTVS 3.370 NC1=NC(=O)c2ncn(CC(COC[P](O)(O)=O)COC[P](O)(O)=O)c2N1
5 SMILES OpenEye OEToolkits 1.7.6 c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N
6 Canonical SMILES CACTVS 3.370 NC1=NC(=O)c2ncn(CC(COC[P](O)(O)=O)COC[P](O)(O)=O)c2N1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N