[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(2-methylphenoxy)propanoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(2-methylphenoxy)propanoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 3-(2-methylphenoxy)propanoate CAS Name: 3-(2-methylphenoxy)propanoic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(2-methylphenoxy)propanoate Traditional Name: 3-(2-methylphenoxy)propionic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H22N2O5 MolecularWeight: 322.35628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)O[C@@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C16H22N2O5/c1-10(2)14(15(20)18-16(17)21)23-13(19)8-9-22-12-7-5-4-6-11(12)3/h4-7,10,14H,8-9H2,1-3H3,(H3,17,18,20,21)/t14-/m0/s1