(2S)-2-acetamido-4-methyl-pentanoate; [(1S)-1-(4-methoxyphenyl)propyl]azanium

Systemtic Name: (2S)-2-acetamido-4-methyl-pentanoate; [(1S)-1-(4-methoxyphenyl)propyl]azanium Openeye Name: (2S)-2-acetamido-4-methyl-pentanoate; [(1S)-1-(4-methoxyphenyl)propyl]ammonium CAS Name: (2S)-2-acetamido-4-methylpentanoate; [(1S)-1-(4-methoxyphenyl)propyl]ammonium IUPAC Name: (2S)-2-acetamido-4-methylpentanoate; [(1S)-1-(4-methoxyphenyl)propyl]azanium Traditional Name: (2S)-2-acetamido-4-methyl-valerate; [(1S)-1-(4-methoxyphenyl)propyl]ammonium Formula: C18H30N2O4 MolecularWeight: 338.4418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OC)[NH3+].CC(C)CC(C(=O)[O-])NC(=O)C

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)OC)[NH3+].CC(C)C[C@@H](C(=O)[O-])NC(=O)C

InChI

InChI=1S/C10H15NO.C8H15NO3/c1-3-10(11)8-4-6-9(12-2)7-5-8;1-5(2)4-7(8(11)12)9-6(3)10/h4-7,10H,3,11H2,1-2H3;5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t10-;7-/m00/s1