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

Systemtic Name: 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-benzylsulfanyl-propanoic acid CAS Name: 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-benzylsulfanylpropanoic acid Traditional Name: 3-(benzylthio)-2-(tyrosylamino)propionic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S/c20-16(10-13-6-8-15(22)9-7-13)18(23)21-17(19(24)25)12-26-11-14-4-2-1-3-5-14/h1-9,16-17,22H,10-12,20H2,(H,21,23)(H,24,25)