3-ethylsulfanyl-2-[[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-ethylsulfanyl-2-[[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-ethylsulfanyl-2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-(ethylthio)-2-[[4-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-ethylsulfanyl-2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-(ethylthio)-2-[[4-(p-anisoylamino)phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C25H26N2O6S2 MolecularWeight: 514.61374

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=CC=CC=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCSC(C1=CC=CC=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H26N2O6S2/c1-3-34-23(17-7-5-4-6-8-17)22(25(29)30)27-35(31,32)21-15-11-19(12-16-21)26-24(28)18-9-13-20(33-2)14-10-18/h4-16,22-23,27H,3H2,1-2H3,(H,26,28)(H,29,30)