2-azanyl-3-(4-hydroxyphenyl)-4-oxidanylidene-2-(sulfanylmethyl)heptanoic acid

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)-4-oxidanylidene-2-(sulfanylmethyl)heptanoic acid Openeye Name: 2-amino-3-(4-hydroxyphenyl)-4-oxo-2-(sulfanylmethyl)heptanoic acid CAS Name: 2-amino-3-(4-hydroxyphenyl)-2-(mercaptomethyl)-4-oxoheptanoic acid IUPAC Name: 2-amino-3-(4-hydroxyphenyl)-4-oxo-2-(sulfanylmethyl)heptanoic acid Traditional Name: 2-amino-3-(4-hydroxyphenyl)-4-keto-2-(mercaptomethyl)enanthic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C1=CC=C(C=C1)O)C(CS)(C(=O)O)N

Isomeric SMILES

CCCC(=O)C(C1=CC=C(C=C1)O)C(CS)(C(=O)O)N

InChI

InChI=1S/C14H19NO4S/c1-2-3-11(17)12(14(15,8-20)13(18)19)9-4-6-10(16)7-5-9/h4-7,12,16,20H,2-3,8,15H2,1H3,(H,18,19)