[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3,5-diacetamidobenzoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3,5-diacetamidobenzoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O6/c1-8(2)14(15(24)21-17(18)26)27-16(25)11-5-12(19-9(3)22)7-13(6-11)20-10(4)23/h5-8,14H,1-4H3,(H,19,22)(H,20,23)(H3,18,21,24,26)/t14-/m0/s1