4-methylsulfanyl-2-[[2-phenyl-4-(3-phenylpropyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(3-phenylpropyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(3-phenylpropyl)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(3-phenylpropyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(3-phenylpropyl)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(3-phenylpropyl)benzoyl]amino]butyric acid Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CCCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CCCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H29NO3S/c1-32-18-17-25(27(30)31)28-26(29)23-16-15-21(12-8-11-20-9-4-2-5-10-20)19-24(23)22-13-6-3-7-14-22/h2-7,9-10,13-16,19,25H,8,11-12,17-18H2,1H3,(H,28,29)(H,30,31)