3-[[4-oxidanylidene-7-(phenylmethoxycarbonylaminomethyl)quinolizin-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[4-oxidanylidene-7-(phenylmethoxycarbonylaminomethyl)quinolizin-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[7-(benzyloxycarbonylaminomethyl)-4-oxo-quinolizine-2-carbonyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[oxo-[4-oxo-7-(phenylmethoxycarbonylaminomethyl)-2-quinolizinyl]methyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[4-oxo-7-(phenylmethoxycarbonylaminomethyl)quinolizine-2-carbonyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[7-(benzyloxycarbonylaminomethyl)-4-keto-quinolizine-2-carbonyl]amino]propionic acid Formula: C28H26N4O8S MolecularWeight: 578.59304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC2=CN3C(=CC(=CC3=O)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC2=CN3C(=CC(=CC3=O)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C28H26N4O8S/c33-25-14-21(26(34)29-16-24(27(35)36)31-41(38,39)23-9-5-2-6-10-23)13-22-12-11-20(17-32(22)25)15-30-28(37)40-18-19-7-3-1-4-8-19/h1-14,17,24,31H,15-16,18H2,(H,29,34)(H,30,37)(H,35,36)