2-[(2-oxidanylidene-3-propylsulfonyl-1,3-diazinan-1-yl)carbonylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(2-oxidanylidene-3-propylsulfonyl-1,3-diazinan-1-yl)carbonylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[(2-oxo-3-propylsulfonyl-hexahydropyrimidine-1-carbonyl)amino]-2-phenyl-acetic acid CAS Name: 2-[[oxo-(2-oxo-3-propylsulfonyl-1,3-diazinan-1-yl)methyl]amino]-2-phenylacetic acid IUPAC Name: 2-[(2-oxo-3-propylsulfonyl-1,3-diazinane-1-carbonyl)amino]-2-phenylacetic acid Traditional Name: 2-[(2-keto-3-propylsulfonyl-hexahydropyrimidine-1-carbonyl)amino]-2-phenyl-acetic acid Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCN(C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)N1CCCN(C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H21N3O6S/c1-2-11-26(24,25)19-10-6-9-18(16(19)23)15(22)17-13(14(20)21)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,17,22)(H,20,21)