dimethyl-[2-[[(2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoyl]amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[[(2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[(2S)-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-1-oxobutyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[[(2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoyl]amino]ethyl]ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC[NH+](C)C)NC(=O)CC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC[NH+](C)C)NC(=O)CC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C21H29N3O2/c1-15(2)20(21(26)22-12-13-24(3)4)23-19(25)14-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,15,20H,12-14H2,1-4H3,(H,22,26)(H,23,25)/p+1/t20-/m0/s1