(2S,3S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[3-(3-methylphenoxy)-1-oxopropyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]valerate Formula: C16H22NO4- MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CCOC1=CC=CC(=C1)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)CCOC1=CC=CC(=C1)C

InChI

InChI=1S/C16H23NO4/c1-4-12(3)15(16(19)20)17-14(18)8-9-21-13-7-5-6-11(2)10-13/h5-7,10,12,15H,4,8-9H2,1-3H3,(H,17,18)(H,19,20)/p-1/t12-,15-/m0/s1