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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=O)O[C@@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C16H22N2O5/c1-9(2)13(14(19)18-16(17)21)23-15(20)11(4)22-12-7-5-6-10(3)8-12/h5-9,11,13H,1-4H3,(H3,17,18,19,21)/t11-,13-/m0/s1