2-azanyl-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl]thio]propionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CSCC(C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CSCC(C(=O)O)N

InChI

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