ethyl (2R)-2-acetamido-3-[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-acetamido-3-[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]sulfanyl-propanoate Openeye Name: ethyl (2R)-2-acetamido-3-[(2S)-4-methyl-2-(p-tolylsulfonylamino)pentanoyl]sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxopentyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-acetamido-3-[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[[(2S)-4-methyl-2-(tosylamino)pentanoyl]thio]propionic acid ethyl ester Formula: C20H30N2O6S2 MolecularWeight: 458.592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(=O)C(CC(C)C)NS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CSC(=O)[C@H](CC(C)C)NS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)C

InChI

InChI=1S/C20H30N2O6S2/c1-6-28-19(24)18(21-15(5)23)12-29-20(25)17(11-13(2)3)22-30(26,27)16-9-7-14(4)8-10-16/h7-10,13,17-18,22H,6,11-12H2,1-5H3,(H,21,23)/t17-,18-/m0/s1