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

Systemtic Name: (2S)-3-methyl-2-[[(2S)-2-[(phenylmethyl)-propan-2-yl-azaniumyl]propanoyl]amino]butanoate Openeye Name: (2S)-2-[[(2S)-2-[benzyl(isopropyl)ammonio]propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-1-oxo-2-[(phenylmethyl)-propan-2-ylammonio]propyl]amino]butanoate IUPAC Name: (2S)-2-[[(2S)-2-[benzyl(propan-2-yl)azaniumyl]propanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[benzyl(isopropyl)ammonio]propanoyl]amino]-3-methyl-butyrate Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-12(2)16(18(22)23)19-17(21)14(5)20(13(3)4)11-15-9-7-6-8-10-15/h6-10,12-14,16H,11H2,1-5H3,(H,19,21)(H,22,23)/t14-,16-/m0/s1