3-[4-(ethylcarbamothioylamino)phenyl]-2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[4-(ethylcarbamothioylamino)phenyl]-2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[4-(ethylcarbamothioylamino)phenyl]-2-[p-tolylsulfonyl(pyrrolidine-2-carbonyl)amino]propanoic acid CAS Name: 3-[4-[[ethylamino(sulfanylidene)methyl]amino]phenyl]-2-[(4-methylphenyl)sulfonyl-[oxo(2-pyrrolidinyl)methyl]amino]propanoic acid IUPAC Name: 3-[4-(ethylcarbamothioylamino)phenyl]-2-[(4-methylphenyl)sulfonyl-(pyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[4-(ethylthiocarbamoylamino)phenyl]-2-[prolyl(tosyl)amino]propionic acid Formula: C24H30N4O5S2 MolecularWeight: 518.6488

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC=C(C=C1)CC(C(=O)O)N(C(=O)C2CCCN2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCNC(=S)NC1=CC=C(C=C1)CC(C(=O)O)N(C(=O)C2CCCN2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H30N4O5S2/c1-3-25-24(34)27-18-10-8-17(9-11-18)15-21(23(30)31)28(22(29)20-5-4-14-26-20)35(32,33)19-12-6-16(2)7-13-19/h6-13,20-21,26H,3-5,14-15H2,1-2H3,(H,30,31)(H2,25,27,34)