3-[[7-(5-azanylpentoxy)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-2-[(phenylmethyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[[7-(5-azanylpentoxy)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-2-[(phenylmethyl)sulfonylamino]propanoic acid Openeye Name: 3-[[7-(5-aminopentoxy)-4-oxo-quinolizine-3-carbonyl]amino]-2-(benzylsulfonylamino)propanoic acid CAS Name: 3-[[[7-(5-aminopentoxy)-4-oxo-3-quinolizinyl]-oxomethyl]amino]-2-[(phenylmethyl)sulfonylamino]propanoic acid IUPAC Name: 3-[[7-(5-aminopentoxy)-4-oxoquinolizine-3-carbonyl]amino]-2-(benzylsulfonylamino)propanoic acid Traditional Name: 3-[[7-(5-aminopentoxy)-4-keto-quinolizine-3-carbonyl]amino]-2-(benzylsulfonylamino)propionic acid Formula: C25H30N4O7S MolecularWeight: 530.5933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC(CNC(=O)C2=CC=C3C=CC(=CN3C2=O)OCCCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC(CNC(=O)C2=CC=C3C=CC(=CN3C2=O)OCCCCCN)C(=O)O

InChI

InChI=1S/C25H30N4O7S/c26-13-5-2-6-14-36-20-11-9-19-10-12-21(24(31)29(19)16-20)23(30)27-15-22(25(32)33)28-37(34,35)17-18-7-3-1-4-8-18/h1,3-4,7-12,16,22,28H,2,5-6,13-15,17,26H2,(H,27,30)(H,32,33)