3-[[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]carbonylamino]-2-(quinolin-8-ylsulfonylamino)propanoic acid

Systemtic Name: 3-[[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]carbonylamino]-2-(quinolin-8-ylsulfonylamino)propanoic acid Openeye Name: 3-[[4-(3-methoxy-3-oxo-propyl)benzoyl]amino]-2-(8-quinolylsulfonylamino)propanoic acid CAS Name: 3-[[[4-(3-methoxy-3-oxopropyl)phenyl]-oxomethyl]amino]-2-(8-quinolinylsulfonylamino)propanoic acid IUPAC Name: 3-[[4-(3-methoxy-3-oxopropyl)benzoyl]amino]-2-(quinolin-8-ylsulfonylamino)propanoic acid Traditional Name: 3-[[4-(3-keto-3-methoxy-propyl)benzoyl]amino]-2-(8-quinolylsulfonylamino)propionic acid Formula: C23H23N3O7S MolecularWeight: 485.50962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C23H23N3O7S/c1-33-20(27)12-9-15-7-10-17(11-8-15)22(28)25-14-18(23(29)30)26-34(31,32)19-6-2-4-16-5-3-13-24-21(16)19/h2-8,10-11,13,18,26H,9,12,14H2,1H3,(H,25,28)(H,29,30)