dimethyl-[(1R)-2-[[(2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoyl]amino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[[(2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoyl]amino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[[(2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[(2S)-3-methyl-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]butyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[[(2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[[(2S)-3-methyl-2-(2-thenoylamino)butanoyl]amino]-1-phenyl-ethyl]ammonium Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC[C@@H](C1=CC=CC=C1)[NH+](C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C20H27N3O2S/c1-14(2)18(22-19(24)17-11-8-12-26-17)20(25)21-13-16(23(3)4)15-9-6-5-7-10-15/h5-12,14,16,18H,13H2,1-4H3,(H,21,25)(H,22,24)/p+1/t16-,18-/m0/s1