[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]acetic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c1-9(2)14(16(23)20-17(18)24)25-13(21)8-19-15(22)12-6-5-10(3)11(4)7-12/h5-7,9,14H,8H2,1-4H3,(H,19,22)(H3,18,20,23,24)/t14-/m0/s1