[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-(4-chloranylphenoxy)propanoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-(4-chloranylphenoxy)propanoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] (2S)-2-(4-chlorophenoxy)propanoate CAS Name: (2S)-2-(4-chlorophenoxy)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-(4-chlorophenoxy)propanoate Traditional Name: (2S)-2-(4-chlorophenoxy)propionic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C15H19ClN2O5 MolecularWeight: 342.77476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C(C)OC1=CC=C(C=C1)Cl

Isomeric SMILES

C[C@@H](C(=O)O[C@@H](C(C)C)C(=O)NC(=O)N)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H19ClN2O5/c1-8(2)12(13(19)18-15(17)21)23-14(20)9(3)22-11-6-4-10(16)5-7-11/h4-9,12H,1-3H3,(H3,17,18,19,21)/t9-,12-/m0/s1