Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : HNU    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C10H17N3O3/c1-3-6-12-10(16)8(13-7(2)14)4-5-9(11)15/h3,8H,1,4-6H2,2H3,(H2,11,15)(H,12,16)(H,13,14)/t8-/m0/s1
2 InChIKey InChI 1.06 HRGCJYNJCSFORH-QMMMGPOBSA-N
3 SMILES CACTVS 3.385 CC(=O)N[CH](CCC(N)=O)C(=O)NCC=C
4 SMILES OpenEye OEToolkits 2.0.7 CC(=O)NC(CCC(=O)N)C(=O)NCC=C
5 Canonical SMILES CACTVS 3.385 CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC=C
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)N[C@@H](CCC(=O)N)C(=O)NCC=C