(2S)-2-acetamido-N-(2-azanyl-2-oxidanylidene-ethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-azanyl-2-oxidanylidene-ethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(2-amino-2-oxo-ethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-amino-2-oxoethyl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(2-amino-2-keto-ethyl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC)C(=O)NCC(=O)N

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC)C(=O)NCC(=O)N

InChI

InChI=1S/C14H19N3O4S/c1-9(18)17-12(14(20)16-7-13(15)19)8-22-11-5-3-10(21-2)4-6-11/h3-6,12H,7-8H2,1-2H3,(H2,15,19)(H,16,20)(H,17,18)/t12-/m1/s1