(2S,3S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-methyl-valeric acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCC1=CC=C(C=C1)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)CCC1=CC=C(C=C1)O

InChI

InChI=1S/C15H21NO4/c1-3-10(2)14(15(19)20)16-13(18)9-6-11-4-7-12(17)8-5-11/h4-5,7-8,10,14,17H,3,6,9H2,1-2H3,(H,16,18)(H,19,20)/t10-,14-/m0/s1