(2S)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-butyrate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-8(2)12(13(17)18)14-11(16)7-9-3-5-10(15)6-4-9/h3-6,8,12,15H,7H2,1-2H3,(H,14,16)(H,17,18)/p-1/t12-/m0/s1