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

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

CCC(CCOC1=CN2C(=CC=C(C2=O)C(=O)NCC(C(=O)O)NS(=O)(=O)CC3=CC=CC=C3)C=C1)N

Isomeric SMILES

CCC(CCOC1=CN2C(=CC=C(C2=O)C(=O)NCC(C(=O)O)NS(=O)(=O)CC3=CC=CC=C3)C=C1)N

InChI

InChI=1S/C25H30N4O7S/c1-2-18(26)12-13-36-20-10-8-19-9-11-21(24(31)29(19)15-20)23(30)27-14-22(25(32)33)28-37(34,35)16-17-6-4-3-5-7-17/h3-11,15,18,22,28H,2,12-14,16,26H2,1H3,(H,27,30)(H,32,33)