tert-butyl N-[(2S)-1-[(2-azanyl-4,5-dimethyl-phenyl)amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(2-azanyl-4,5-dimethyl-phenyl)amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-(2-amino-4,5-dimethyl-anilino)-1-(hydroxymethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(2-amino-4,5-dimethylanilino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(2-amino-4,5-dimethylanilino)-3-hydroxy-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(2-amino-4,5-dimethyl-anilino)-2-keto-1-methylol-ethyl]carbamic acid tert-butyl ester Formula: C16H25N3O4 MolecularWeight: 323.3874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=O)C(CO)NC(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)N

InChI

InChI=1S/C16H25N3O4/c1-9-6-11(17)12(7-10(9)2)18-14(21)13(8-20)19-15(22)23-16(3,4)5/h6-7,13,20H,8,17H2,1-5H3,(H,18,21)(H,19,22)/t13-/m0/s1