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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[[3-phenyl-2-(tyrosylamino)propanoyl]amino]propionic acid Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c22-16(10-14-6-8-15(25)9-7-14)19(26)23-17(11-13-4-2-1-3-5-13)20(27)24-18(12-30)21(28)29/h1-9,16-18,25,30H,10-12,22H2,(H,23,26)(H,24,27)(H,28,29)