[(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [(1S)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [(1S)-2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C16H23N3O5S MolecularWeight: 369.43592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C16H23N3O5S/c1-10(14(20)18-11-4-6-12(23-2)7-5-11)24-15(21)13(8-9-25-3)19-16(17)22/h4-7,10,13H,8-9H2,1-3H3,(H,18,20)(H3,17,19,22)/t10-,13-/m0/s1