2-[[[5-bromanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]phenyl]-phenyl-methyl]amino]ethanoic acid

Systemtic Name: 2-[[[5-bromanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]phenyl]-phenyl-methyl]amino]ethanoic acid Openeye Name: 2-[[[2-[3-(benzyloxycarbonylamino)propanoylamino]-5-bromo-phenyl]-phenyl-methyl]amino]acetic acid CAS Name: 2-[[[5-bromo-2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]phenyl]-phenylmethyl]amino]acetic acid IUPAC Name: 2-[[[5-bromo-2-[3-(phenylmethoxycarbonylamino)propanoylamino]phenyl]-phenylmethyl]amino]acetic acid Traditional Name: 2-[[[2-[3-(benzyloxycarbonylamino)propanoylamino]-5-bromo-phenyl]-phenyl-methyl]amino]acetic acid Formula: C26H26BrN3O5 MolecularWeight: 540.40574

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H26BrN3O5/c27-20-11-12-22(21(15-20)25(29-16-24(32)33)19-9-5-2-6-10-19)30-23(31)13-14-28-26(34)35-17-18-7-3-1-4-8-18/h1-12,15,25,29H,13-14,16-17H2,(H,28,34)(H,30,31)(H,32,33)