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

Systemtic Name: 3-[[4-oxidanylidene-7-[(pyrimidin-2-ylamino)methyl]quinolizin-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[4-oxo-7-[(pyrimidin-2-ylamino)methyl]quinolizine-2-carbonyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[oxo-[4-oxo-7-[(2-pyrimidinylamino)methyl]-2-quinolizinyl]methyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[4-oxo-7-[(pyrimidin-2-ylamino)methyl]quinolizine-2-carbonyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[4-keto-7-[(2-pyrimidylamino)methyl]quinolizine-2-carbonyl]amino]propionic acid Formula: C24H22N6O6S MolecularWeight: 522.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC(=O)N3C=C(C=CC3=C2)CNC4=NC=CC=N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC(=O)N3C=C(C=CC3=C2)CNC4=NC=CC=N4)C(=O)O

InChI

InChI=1S/C24H22N6O6S/c31-21-12-17(11-18-8-7-16(15-30(18)21)13-28-24-25-9-4-10-26-24)22(32)27-14-20(23(33)34)29-37(35,36)19-5-2-1-3-6-19/h1-12,15,20,29H,13-14H2,(H,27,32)(H,33,34)(H,25,26,28)