(2S)-2-[2-[ethyl-(phenylmethyl)azaniumyl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[2-[ethyl-(phenylmethyl)azaniumyl]ethanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[2-[benzyl(ethyl)ammonio]acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[ethyl-(phenylmethyl)ammonio]-1-oxoethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[2-[benzyl(ethyl)azaniumyl]acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[benzyl(ethyl)ammonio]acetyl]amino]-4-methyl-valerate Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-4-19(11-14-8-6-5-7-9-14)12-16(20)18-15(17(21)22)10-13(2)3/h5-9,13,15H,4,10-12H2,1-3H3,(H,18,20)(H,21,22)/t15-/m0/s1