2-azanyl-N-(1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)-3-(4-hydroxyphenyl)propanamide

Systemtic Name: 2-azanyl-N-(1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)-3-(4-hydroxyphenyl)propanamide Openeye Name: 2-amino-N-[2-amino-2-oxo-1-(sulfanylmethyl)ethyl]-3-(4-hydroxyphenyl)propanamide CAS Name: 2-amino-N-(1-amino-3-mercapto-1-oxopropan-2-yl)-3-(4-hydroxyphenyl)propanamide IUPAC Name: 2-amino-N-(1-amino-1-oxo-3-sulfanylpropan-2-yl)-3-(4-hydroxyphenyl)propanamide Traditional Name: 2-amino-N-[2-amino-2-keto-1-(mercaptomethyl)ethyl]-3-(4-hydroxyphenyl)propionamide Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CS)C(=O)N)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CS)C(=O)N)N)O

InChI

InChI=1S/C12H17N3O3S/c13-9(5-7-1-3-8(16)4-2-7)12(18)15-10(6-19)11(14)17/h1-4,9-10,16,19H,5-6,13H2,(H2,14,17)(H,15,18)