2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoic acid Traditional Name: 3-hydroxy-2-[[3-mercapto-2-(tyrosylamino)propanoyl]amino]propionic acid Formula: C15H21N3O6S MolecularWeight: 371.40874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6S/c16-10(5-8-1-3-9(20)4-2-8)13(21)18-12(7-25)14(22)17-11(6-19)15(23)24/h1-4,10-12,19-20,25H,5-7,16H2,(H,17,22)(H,18,21)(H,23,24)