ethyl 2-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[2-acetamido-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-acetamido-4-methylsulfanylbutanoyl)amino]-3-phenylpropanoate Traditional Name: 2-[[2-acetamido-4-(methylthio)butanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCSC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCSC)NC(=O)C

InChI

InChI=1S/C18H26N2O4S/c1-4-24-18(23)16(12-14-8-6-5-7-9-14)20-17(22)15(10-11-25-3)19-13(2)21/h5-9,15-16H,4,10-12H2,1-3H3,(H,19,21)(H,20,22)