(3S)-4-azido-3-[[4-[(quinolin-8-ylsulfonylamino)methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: (3S)-4-azido-3-[[4-[(quinolin-8-ylsulfonylamino)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[[4-[(8-quinolylsulfonylamino)methyl]benzoyl]amino]butanoic acid CAS Name: (3S)-4-azido-3-[[oxo-[4-[(8-quinolinylsulfonylamino)methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: (3S)-4-azido-3-[[4-[(quinolin-8-ylsulfonylamino)methyl]benzoyl]amino]butanoic acid Traditional Name: (3S)-4-azido-3-[[4-[(8-quinolylsulfonylamino)methyl]benzoyl]amino]butyric acid Formula: C21H20N6O5S MolecularWeight: 468.4857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)NCC3=CC=C(C=C3)C(=O)NC(CC(=O)O)CN=[N+]=[N-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)NCC3=CC=C(C=C3)C(=O)N[C@@H](CC(=O)O)CN=[N+]=[N-])N=CC=C2

InChI

InChI=1S/C21H20N6O5S/c22-27-24-13-17(11-19(28)29)26-21(30)16-8-6-14(7-9-16)12-25-33(31,32)18-5-1-3-15-4-2-10-23-20(15)18/h1-10,17,25H,11-13H2,(H,26,30)(H,28,29)/t17-/m0/s1