2-azanyl-4-methylsulfanyl-2-[4-(oxolan-2-ylmethoxymethyl)-2-phenyl-phenyl]carbonyl-butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[4-(oxolan-2-ylmethoxymethyl)-2-phenyl-phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(tetrahydrofuran-2-ylmethoxymethyl)benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[4-(2-oxolanylmethoxymethyl)-2-phenylphenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-(tetrahydrofurfuryloxymethyl)benzoyl]butyric acid Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)COCC2CCCO2)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)COCC2CCCO2)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C24H29NO5S/c1-31-13-11-24(25,23(27)28)22(26)20-10-9-17(15-29-16-19-8-5-12-30-19)14-21(20)18-6-3-2-4-7-18/h2-4,6-7,9-10,14,19H,5,8,11-13,15-16,25H2,1H3,(H,27,28)