2-azanyl-4-methylsulfanyl-2-[4-(oxolan-3-ylmethoxymethyl)-2-phenyl-phenyl]carbonyl-butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[4-(oxolan-3-ylmethoxymethyl)-2-phenyl-phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(tetrahydrofuran-3-ylmethoxymethyl)benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[4-(3-oxolanylmethoxymethyl)-2-phenylphenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[4-(oxolan-3-ylmethoxymethyl)-2-phenylbenzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-(tetrahydrofuran-3-ylmethoxymethyl)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)COCC2CCOC2)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)COCC2CCOC2)C3=CC=CC=C3)(C(=O)O)N

InChI

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