(3S)-4-azido-3-[6-[(4-phenylphenyl)sulfonylamino]hexanoylamino]butanoic acid

Systemtic Name: (3S)-4-azido-3-[6-[(4-phenylphenyl)sulfonylamino]hexanoylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[6-[(4-phenylphenyl)sulfonylamino]hexanoylamino]butanoic acid CAS Name: (3S)-4-azido-3-[[1-oxo-6-[(4-phenylphenyl)sulfonylamino]hexyl]amino]butanoic acid IUPAC Name: (3S)-4-azido-3-[6-[(4-phenylphenyl)sulfonylamino]hexanoylamino]butanoic acid Traditional Name: (3S)-4-azido-3-[6-[(4-phenylphenyl)sulfonylamino]hexanoylamino]butyric acid Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O5S/c23-27-24-16-19(15-22(29)30)26-21(28)9-5-2-6-14-25-33(31,32)20-12-10-18(11-13-20)17-7-3-1-4-8-17/h1,3-4,7-8,10-13,19,25H,2,5-6,9,14-16H2,(H,26,28)(H,29,30)/t19-/m0/s1