1-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-mercapto-2-(tyrosylamino)propanoyl]proline Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CS)NC(=O)C(CC2=CC=C(C=C2)O)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CS)NC(=O)C(CC2=CC=C(C=C2)O)N)C(=O)O

InChI

InChI=1S/C17H23N3O5S/c18-12(8-10-3-5-11(21)6-4-10)15(22)19-13(9-26)16(23)20-7-1-2-14(20)17(24)25/h3-6,12-14,21,26H,1-2,7-9,18H2,(H,19,22)(H,24,25)