2-(4-acetamidosulfanylphenyl)-2-(2-azanylpropanoylamino)ethanoic acid

Systemtic Name: 2-(4-acetamidosulfanylphenyl)-2-(2-azanylpropanoylamino)ethanoic acid Openeye Name: 2-(4-acetamidosulfanylphenyl)-2-(2-aminopropanoylamino)acetic acid CAS Name: 2-[4-(acetamidothio)phenyl]-2-[(2-amino-1-oxopropyl)amino]acetic acid IUPAC Name: 2-(4-acetamidosulfanylphenyl)-2-(2-aminopropanoylamino)acetic acid Traditional Name: 2-[4-(acetamidothio)phenyl]-2-(alanylamino)acetic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=C(C=C1)SNC(=O)C)C(=O)O)N

Isomeric SMILES

CC(C(=O)NC(C1=CC=C(C=C1)SNC(=O)C)C(=O)O)N

InChI

InChI=1S/C13H17N3O4S/c1-7(14)12(18)15-11(13(19)20)9-3-5-10(6-4-9)21-16-8(2)17/h3-7,11H,14H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)