2-[[4-[[2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-[[2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenyl-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[[2-acetamido-6-(benzyloxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoyl]amino]benzoic acid CAS Name: 2-[[[4-[[2-acetamido-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-2-phenylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[[2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenylbenzoyl]amino]benzoic acid Traditional Name: 2-[[4-[[2-acetamido-6-(benzyloxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoyl]amino]benzoic acid Formula: C36H36N4O7 MolecularWeight: 636.69364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C36H36N4O7/c1-24(41)38-32(18-10-11-21-37-36(46)47-23-25-12-4-2-5-13-25)34(43)39-27-19-20-28(30(22-27)26-14-6-3-7-15-26)33(42)40-31-17-9-8-16-29(31)35(44)45/h2-9,12-17,19-20,22,32H,10-11,18,21,23H2,1H3,(H,37,46)(H,38,41)(H,39,43)(H,40,42)(H,44,45)