[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]azanium chloride Openeye Name: [(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3,3-dimethyl-butyl]ammonium chloride CAS Name: [(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]azanium chloride Traditional Name: [(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-3,3-dimethyl-butyl]ammonium chloride Formula: C16H26ClN3O2 MolecularWeight: 327.84954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)[NH3+].[Cl-]

Isomeric SMILES

CC(C)(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)[NH3+].[Cl-]

InChI

InChI=1S/C16H25N3O2.ClH/c1-16(2,3)10-12(17)15(21)19-13(14(18)20)9-11-7-5-4-6-8-11;/h4-8,12-13H,9-10,17H2,1-3H3,(H2,18,20)(H,19,21);1H/t12-,13-;/m0./s1