(2R)-2-azanyl-3-[2-[ethoxymethyl-(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[2-[ethoxymethyl-(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-amino-3-[2-[N-(ethoxymethyl)-2-ethyl-6-methyl-anilino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: (2R)-2-amino-3-[[2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethyl]thio]propanoic acid IUPAC Name: (2R)-2-amino-3-[2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: (2R)-2-amino-3-[[2-[N-(ethoxymethyl)-2-ethyl-6-methyl-anilino]-2-keto-ethyl]thio]propionic acid Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N(COCC)C(=O)CSCC(C(=O)O)N)C

Isomeric SMILES

CCC1=CC=CC(=C1N(COCC)C(=O)CSC[C@@H](C(=O)O)N)C

InChI

InChI=1S/C17H26N2O4S/c1-4-13-8-6-7-12(3)16(13)19(11-23-5-2)15(20)10-24-9-14(18)17(21)22/h6-8,14H,4-5,9-11,18H2,1-3H3,(H,21,22)/t14-/m0/s1