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

Systemtic Name: methyl (2R)-2-acetamido-3-[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]sulfanyl-propanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C19H28N2O6S2 MolecularWeight: 444.56542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)SCC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)SC[C@@H](C(=O)OC)NC(=O)C

InChI

InChI=1S/C19H28N2O6S2/c1-12(2)10-16(21-29(25,26)15-8-6-13(3)7-9-15)19(24)28-11-17(18(23)27-5)20-14(4)22/h6-9,12,16-17,21H,10-11H2,1-5H3,(H,20,22)/t16-,17-/m0/s1