(2S)-3-methyl-2-[2-[(phenylmethyl)-propan-2-yl-azaniumyl]ethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-[(phenylmethyl)-propan-2-yl-azaniumyl]ethanoylamino]butanoate Openeye Name: (2S)-2-[[2-[benzyl(isopropyl)ammonio]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-[(phenylmethyl)-propan-2-ylammonio]ethyl]amino]butanoate IUPAC Name: (2S)-2-[[2-[benzyl(propan-2-yl)azaniumyl]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[benzyl(isopropyl)ammonio]acetyl]amino]-3-methyl-butyrate Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C[NH+](CC1=CC=CC=C1)C(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C[NH+](CC1=CC=CC=C1)C(C)C

InChI

InChI=1S/C17H26N2O3/c1-12(2)16(17(21)22)18-15(20)11-19(13(3)4)10-14-8-6-5-7-9-14/h5-9,12-13,16H,10-11H2,1-4H3,(H,18,20)(H,21,22)/t16-/m0/s1