[(2S)-1-[4-[3-methyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrazin-2-yl]butylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-[4-[3-methyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrazin-2-yl]butylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium chloride Openeye Name: [(1S)-1-benzyl-2-[4-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)butylamino]-2-oxo-ethyl]ammonium chloride CAS Name: [(2S)-1-[4-[3-methyl-6-oxo-5-(phenylmethyl)-1H-pyrazin-2-yl]butylamino]-1-oxo-3-phenylpropan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-[4-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)butylamino]-1-oxo-3-phenylpropan-2-yl]azanium chloride Traditional Name: [(1S)-1-benzyl-2-[4-(5-benzyl-6-keto-3-methyl-1H-pyrazin-2-yl)butylamino]-2-keto-ethyl]ammonium chloride Formula: C25H31ClN4O2 MolecularWeight: 454.99224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(=N1)CC2=CC=CC=C2)CCCCNC(=O)C(CC3=CC=CC=C3)[NH3+].[Cl-]

Isomeric SMILES

CC1=C(NC(=O)C(=N1)CC2=CC=CC=C2)CCCCNC(=O)[C@H](CC3=CC=CC=C3)[NH3+].[Cl-]

InChI

InChI=1S/C25H30N4O2.ClH/c1-18-22(29-25(31)23(28-18)17-20-12-6-3-7-13-20)14-8-9-15-27-24(30)21(26)16-19-10-4-2-5-11-19;/h2-7,10-13,21H,8-9,14-17,26H2,1H3,(H,27,30)(H,29,31);1H/t21-;/m0./s1