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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[[3-mercapto-2-(tyrosylamino)propanoyl]amino]propionic acid Formula: C15H21N3O5S2 MolecularWeight: 387.47434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5S2/c16-10(5-8-1-3-9(19)4-2-8)13(20)17-11(6-24)14(21)18-12(7-25)15(22)23/h1-4,10-12,19,24-25H,5-7,16H2,(H,17,20)(H,18,21)(H,22,23)