2-[[[5-bromanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]phenyl]-phenyl-methyl]amino]ethanoic acid

Systemtic Name: 2-[[[5-bromanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]phenyl]-phenyl-methyl]amino]ethanoic acid Openeye Name: 2-[[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]-5-bromo-phenyl]-phenyl-methyl]amino]acetic acid CAS Name: 2-[[[5-bromo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]phenyl]-phenylmethyl]amino]acetic acid IUPAC Name: 2-[[[5-bromo-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]phenyl]-phenylmethyl]amino]acetic acid Traditional Name: 2-[[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]-5-bromo-phenyl]-phenyl-methyl]amino]acetic acid Formula: C25H24BrN3O5 MolecularWeight: 526.37916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3)NCC(=O)O

InChI

InChI=1S/C25H24BrN3O5/c26-19-11-12-21(20(13-19)24(27-15-23(31)32)18-9-5-2-6-10-18)29-22(30)14-28-25(33)34-16-17-7-3-1-4-8-17/h1-13,24,27H,14-16H2,(H,28,33)(H,29,30)(H,31,32)