3-[1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethylamino]propanoic acid

Systemtic Name: 3-[1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethylamino]propanoic acid Openeye Name: 3-[1-[5-(butanoylamino)-2-hydroxy-phenyl]ethylamino]propanoic acid CAS Name: 3-[1-[2-hydroxy-5-(1-oxobutylamino)phenyl]ethylamino]propanoic acid IUPAC Name: 3-[1-[5-(butanoylamino)-2-hydroxyphenyl]ethylamino]propanoic acid Traditional Name: 3-[1-(5-butyramido-2-hydroxy-phenyl)ethylamino]propionic acid Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)O)C(C)NCCC(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)O)C(C)NCCC(=O)O

InChI

InChI=1S/C15H22N2O4/c1-3-4-14(19)17-11-5-6-13(18)12(9-11)10(2)16-8-7-15(20)21/h5-6,9-10,16,18H,3-4,7-8H2,1-2H3,(H,17,19)(H,20,21)