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

Systemtic Name: prop-2-enyl (2R)-2-acetamido-3-[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]sulfanyl-propanoate Openeye Name: allyl (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 prop-2-enyl ester IUPAC Name: prop-2-enyl (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 allyl ester Formula: C21H30N2O6S2 MolecularWeight: 470.6027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H30N2O6S2/c1-6-11-29-20(25)19(22-16(5)24)13-30-21(26)18(12-14(2)3)23-31(27,28)17-9-7-15(4)8-10-17/h6-10,14,18-19,23H,1,11-13H2,2-5H3,(H,22,24)/t18-,19-/m0/s1