methyl 2-[[(2S)-4-methylsulfanyl-2-[2-(prop-2-enoylamino)ethanoylamino]butanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[(2S)-4-methylsulfanyl-2-[2-(prop-2-enoylamino)ethanoylamino]butanoyl]amino]ethanoate Openeye Name: methyl 2-[[(2S)-4-methylsulfanyl-2-[[2-(prop-2-enoylamino)acetyl]amino]butanoyl]amino]acetate CAS Name: 2-[[(2S)-4-(methylthio)-1-oxo-2-[[1-oxo-2-(1-oxoprop-2-enylamino)ethyl]amino]butyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(2S)-4-methylsulfanyl-2-[[2-(prop-2-enoylamino)acetyl]amino]butanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[(2-acrylamidoacetyl)amino]-4-(methylthio)butanoyl]amino]acetic acid methyl ester Formula: C13H21N3O5S MolecularWeight: 331.38794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C(CCSC)NC(=O)CNC(=O)C=C

Isomeric SMILES

COC(=O)CNC(=O)[C@H](CCSC)NC(=O)CNC(=O)C=C

InChI

InChI=1S/C13H21N3O5S/c1-4-10(17)14-7-11(18)16-9(5-6-22-3)13(20)15-8-12(19)21-2/h4,9H,1,5-8H2,2-3H3,(H,14,17)(H,15,20)(H,16,18)/t9-/m0/s1