4-methylsulfanyl-2-[[2-phenyl-4-[[(phenylmethyl)amino]methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-[[(phenylmethyl)amino]methyl]phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[4-[(benzylamino)methyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-[[(phenylmethyl)amino]methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: 2-[[4-[(benzylamino)methyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(benzylamino)methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H28N2O3S/c1-32-15-14-24(26(30)31)28-25(29)22-13-12-20(16-23(22)21-10-6-3-7-11-21)18-27-17-19-8-4-2-5-9-19/h2-13,16,24,27H,14-15,17-18H2,1H3,(H,28,29)(H,30,31)