2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[3-(1H-indol-3-yl)-2-(tyrosylamino)propanoyl]amino]-3-mercapto-propionic acid Formula: C23H26N4O5S MolecularWeight: 470.54134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CS)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CS)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C23H26N4O5S/c24-17(9-13-5-7-15(28)8-6-13)21(29)26-19(22(30)27-20(12-33)23(31)32)10-14-11-25-18-4-2-1-3-16(14)18/h1-8,11,17,19-20,25,28,33H,9-10,12,24H2,(H,26,29)(H,27,30)(H,31,32)