methyl 2-[[[5-bromanyl-2-[4-(phenylmethoxycarbonylamino)butanoylamino]phenyl]-phenyl-methyl]amino]ethanoate

Systemtic Name: methyl 2-[[[5-bromanyl-2-[4-(phenylmethoxycarbonylamino)butanoylamino]phenyl]-phenyl-methyl]amino]ethanoate Openeye Name: methyl 2-[[[2-[4-(benzyloxycarbonylamino)butanoylamino]-5-bromo-phenyl]-phenyl-methyl]amino]acetate CAS Name: 2-[[[5-bromo-2-[[1-oxo-4-(phenylmethoxycarbonylamino)butyl]amino]phenyl]-phenylmethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[[5-bromo-2-[4-(phenylmethoxycarbonylamino)butanoylamino]phenyl]-phenylmethyl]amino]acetate Traditional Name: 2-[[[2-[4-(benzyloxycarbonylamino)butanoylamino]-5-bromo-phenyl]-phenyl-methyl]amino]acetic acid methyl ester Formula: C28H30BrN3O5 MolecularWeight: 568.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)CCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)CCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H30BrN3O5/c1-36-26(34)18-31-27(21-11-6-3-7-12-21)23-17-22(29)14-15-24(23)32-25(33)13-8-16-30-28(35)37-19-20-9-4-2-5-10-20/h2-7,9-12,14-15,17,27,31H,8,13,16,18-19H2,1H3,(H,30,35)(H,32,33)