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

Systemtic Name: methyl 2-[[[5-bromanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]phenyl]-phenyl-methyl]amino]ethanoate Openeye Name: methyl 2-[[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]-5-bromo-phenyl]-phenyl-methyl]amino]acetate CAS Name: 2-[[[5-bromo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]phenyl]-phenylmethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[[5-bromo-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]phenyl]-phenylmethyl]amino]acetate Traditional Name: 2-[[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]-5-bromo-phenyl]-phenyl-methyl]amino]acetic acid methyl ester Formula: C26H26BrN3O5 MolecularWeight: 540.40574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O5/c1-34-24(32)16-28-25(19-10-6-3-7-11-19)21-14-20(27)12-13-22(21)30-23(31)15-29-26(33)35-17-18-8-4-2-5-9-18/h2-14,25,28H,15-17H2,1H3,(H,29,33)(H,30,31)