[(2R)-2-azanyl-3-sulfanyl-propyl]-[4-(3-carboxyphenyl)-3-phenyl-phenyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2R)-2-azanyl-3-sulfanyl-propyl]-[4-(3-carboxyphenyl)-3-phenyl-phenyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(2R)-2-amino-3-sulfanyl-propyl]-[4-(3-carboxyphenyl)-3-phenyl-phenyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(2R)-2-amino-3-mercaptopropyl]-[4-(3-carboxyphenyl)-3-phenylphenyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2R)-2-amino-3-sulfanylpropyl]-[4-(3-carboxyphenyl)-3-phenylphenyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(2R)-2-amino-3-mercapto-propyl]-[4-(3-carboxyphenyl)-3-phenyl-phenyl]ammonium; 2,2,2-trifluoroacetate Formula: C24H23F3N2O4S MolecularWeight: 492.51063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)[NH2+]CC(CS)N)C3=CC(=CC=C3)C(=O)O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)[NH2+]C[C@H](CS)N)C3=CC(=CC=C3)C(=O)O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C22H22N2O2S.C2HF3O2/c23-18(14-27)13-24-19-9-10-20(16-7-4-8-17(11-16)22(25)26)21(12-19)15-5-2-1-3-6-15;3-2(4,5)1(6)7/h1-12,18,24,27H,13-14,23H2,(H,25,26);(H,6,7)/t18-;/m1./s1