2-[2-(butanoylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[2-(butanoylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[2-(butanoylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[1-oxo-2-(1-oxobutylamino)propyl]amino]propanoic acid IUPAC Name: 2-[2-(butanoylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-(2-butyramidopropanoylamino)-3-(4-hydroxyphenyl)propionic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

Isomeric SMILES

CCCC(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

InChI

InChI=1S/C16H22N2O5/c1-3-4-14(20)17-10(2)15(21)18-13(16(22)23)9-11-5-7-12(19)8-6-11/h5-8,10,13,19H,3-4,9H2,1-2H3,(H,17,20)(H,18,21)(H,22,23)