2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanethioylamino]ethanoic acid

Systemtic Name: 2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanethioylamino]ethanoic acid Openeye Name: 2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]ethanethioyl]amino]acetic acid CAS Name: 2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-sulfanylideneethyl]amino]acetic acid IUPAC Name: 2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]ethanethioyl]amino]acetic acid Traditional Name: 2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]thioacetyl]amino]acetic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NCC(=S)NCC(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)NCC(=S)NCC(=O)O)N)O

InChI

InChI=1S/C13H17N3O4S/c14-10(5-8-1-3-9(17)4-2-8)13(20)16-6-11(21)15-7-12(18)19/h1-4,10,17H,5-7,14H2,(H,15,21)(H,16,20)(H,18,19)/t10-/m0/s1