(3S)-4-azido-3-[6-(quinolin-8-ylsulfonylamino)hexanoylamino]butanoic acid

Systemtic Name: (3S)-4-azido-3-[6-(quinolin-8-ylsulfonylamino)hexanoylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[6-(8-quinolylsulfonylamino)hexanoylamino]butanoic acid CAS Name: (3S)-4-azido-3-[[1-oxo-6-(8-quinolinylsulfonylamino)hexyl]amino]butanoic acid IUPAC Name: (3S)-4-azido-3-[6-(quinolin-8-ylsulfonylamino)hexanoylamino]butanoic acid Traditional Name: (3S)-4-azido-3-[6-(8-quinolylsulfonylamino)hexanoylamino]butyric acid Formula: C19H24N6O5S MolecularWeight: 448.49606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)NCCCCCC(=O)NC(CC(=O)O)CN=[N+]=[N-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)NCCCCCC(=O)N[C@@H](CC(=O)O)CN=[N+]=[N-])N=CC=C2

InChI

InChI=1S/C19H24N6O5S/c20-25-22-13-15(12-18(27)28)24-17(26)9-2-1-3-11-23-31(29,30)16-8-4-6-14-7-5-10-21-19(14)16/h4-8,10,15,23H,1-3,9,11-13H2,(H,24,26)(H,27,28)/t15-/m0/s1