3-[[4-[[2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-[[2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenyl-phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-[[2-acetamido-6-(benzyloxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoyl]amino]benzoic acid CAS Name: 3-[[[4-[[2-acetamido-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-2-phenylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-[[2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenylbenzoyl]amino]benzoic acid Traditional Name: 3-[[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(=C3)C(=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(=C3)C(=O)O)C4=CC=CC=C4

InChI

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