dimethyl (2R,3S)-2-(5-acetamido-2-azanyl-phenyl)sulfanyl-3-methyl-butanedioate

Systemtic Name: dimethyl (2R,3S)-2-(5-acetamido-2-azanyl-phenyl)sulfanyl-3-methyl-butanedioate Openeye Name: dimethyl (2R,3S)-2-(5-acetamido-2-amino-phenyl)sulfanyl-3-methyl-butanedioate CAS Name: (2R,3S)-2-[(5-acetamido-2-aminophenyl)thio]-3-methylbutanedioic acid dimethyl ester IUPAC Name: dimethyl (2R,3S)-2-(5-acetamido-2-aminophenyl)sulfanyl-3-methylbutanedioate Traditional Name: (2R,3S)-2-[(5-acetamido-2-amino-phenyl)thio]-3-methyl-succinic acid dimethyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC)SC1=C(C=CC(=C1)NC(=O)C)N)C(=O)OC

Isomeric SMILES

C[C@H]([C@H](C(=O)OC)SC1=C(C=CC(=C1)NC(=O)C)N)C(=O)OC

InChI

InChI=1S/C15H20N2O5S/c1-8(14(19)21-3)13(15(20)22-4)23-12-7-10(17-9(2)18)5-6-11(12)16/h5-8,13H,16H2,1-4H3,(H,17,18)/t8-,13-/m1/s1