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

Systemtic Name: 2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-[[2-(tyrosylamino)acetyl]amino]acetyl]amino]propionic acid Formula: C24H27N5O6 MolecularWeight: 481.50108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O6/c25-18(9-14-5-7-16(30)8-6-14)23(33)28-12-21(31)27-13-22(32)29-20(24(34)35)10-15-11-26-19-4-2-1-3-17(15)19/h1-8,11,18,20,26,30H,9-10,12-13,25H2,(H,27,31)(H,28,33)(H,29,32)(H,34,35)