(2S,3S)-3-(2-azanyl-5-ethyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid

Systemtic Name: (2S,3S)-3-(2-azanyl-5-ethyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: (2S,3S)-3-(2-amino-5-ethyl-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: (2S,3S)-3-[(2-amino-5-ethylphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: (2S,3S)-3-(2-amino-5-ethylphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: (2S,3S)-3-[(2-amino-5-ethyl-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)N)SC(C2=CC=C(C=C2)OC)C(C(=O)O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)N)S[C@@H](C2=CC=C(C=C2)OC)[C@H](C(=O)O)O

InChI

InChI=1S/C18H21NO4S/c1-3-11-4-9-14(19)15(10-11)24-17(16(20)18(21)22)12-5-7-13(23-2)8-6-12/h4-10,16-17,20H,3,19H2,1-2H3,(H,21,22)/t16-,17+/m1/s1