[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic 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-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O5/c1-12(2)16(20(28)30-17(13(3)4)19(27)25-21(23)29)24-18(26)14-8-10-15(11-9-14)22(5,6)7/h8-13,16-17H,1-7H3,(H,24,26)(H3,23,25,27,29)/t16-,17-/m0/s1