3-azanyl-4-[2-[(4-methoxyphenyl)methylsulfanyl]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[2-[(4-methoxyphenyl)methylsulfanyl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[2-[(4-methoxyphenyl)methylsulfanyl]ethylamino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[2-[(4-methoxyphenyl)methylthio]ethylamino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[2-[(4-methoxyphenyl)methylsulfanyl]ethylamino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[2-(p-anisylthio)ethylamino]butyric acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCCNC(=O)C(CC(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)CSCCNC(=O)C(CC(=O)O)N

InChI

InChI=1S/C14H20N2O4S/c1-20-11-4-2-10(3-5-11)9-21-7-6-16-14(19)12(15)8-13(17)18/h2-5,12H,6-9,15H2,1H3,(H,16,19)(H,17,18)