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

Systemtic Name: methyl 2-[[[5-bromanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]phenyl]-phenyl-methyl]amino]ethanoate Openeye Name: methyl 2-[[[2-[2-(benzyloxycarbonylamino)propanoylamino]-5-bromo-phenyl]-phenyl-methyl]amino]acetate CAS Name: 2-[[[5-bromo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]phenyl]-phenylmethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[[5-bromo-2-[2-(phenylmethoxycarbonylamino)propanoylamino]phenyl]-phenylmethyl]amino]acetate Traditional Name: 2-[[[2-[2-(benzyloxycarbonylamino)propanoylamino]-5-bromo-phenyl]-phenyl-methyl]amino]acetic acid methyl ester Formula: C27H28BrN3O5 MolecularWeight: 554.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2)NCC(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2)NCC(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28BrN3O5/c1-18(30-27(34)36-17-19-9-5-3-6-10-19)26(33)31-23-14-13-21(28)15-22(23)25(29-16-24(32)35-2)20-11-7-4-8-12-20/h3-15,18,25,29H,16-17H2,1-2H3,(H,30,34)(H,31,33)