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

Systemtic Name: (2S,3S)-3-methyl-2-[2-[(phenylmethyl)-propan-2-yl-azaniumyl]ethanoylamino]pentanoate Openeye Name: (2S,3S)-2-[[2-[benzyl(isopropyl)ammonio]acetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-[[1-oxo-2-[(phenylmethyl)-propan-2-ylammonio]ethyl]amino]pentanoate IUPAC Name: (2S,3S)-2-[[2-[benzyl(propan-2-yl)azaniumyl]acetyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[2-[benzyl(isopropyl)ammonio]acetyl]amino]-3-methyl-valerate Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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