3-azanyl-3-[3-[phenylsulfonyl-(propylcarbamoylamino)amino]phenyl]propanoic acid

Systemtic Name: 3-azanyl-3-[3-[phenylsulfonyl-(propylcarbamoylamino)amino]phenyl]propanoic acid Openeye Name: 3-amino-3-[3-[benzenesulfonyl-(propylcarbamoylamino)amino]phenyl]propanoic acid CAS Name: 3-amino-3-[3-[benzenesulfonyl-[[oxo(propylamino)methyl]amino]amino]phenyl]propanoic acid IUPAC Name: 3-amino-3-[3-[benzenesulfonyl-(propylcarbamoylamino)amino]phenyl]propanoic acid Traditional Name: 3-amino-3-[3-[besyl-(propylcarbamoylamino)amino]phenyl]propionic acid Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NN(C1=CC=CC(=C1)C(CC(=O)O)N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)NN(C1=CC=CC(=C1)C(CC(=O)O)N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H24N4O5S/c1-2-11-21-19(26)22-23(29(27,28)16-9-4-3-5-10-16)15-8-6-7-14(12-15)17(20)13-18(24)25/h3-10,12,17H,2,11,13,20H2,1H3,(H,24,25)(H2,21,22,26)