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

Systemtic Name: 3-[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-phenyl-phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-[(2-acetamido-6-amino-hexanoyl)amino]-2-phenyl-benzoyl]amino]benzoic acid CAS Name: 3-[[[4-[(2-acetamido-6-amino-1-oxohexyl)amino]-2-phenylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-[(2-acetamido-6-aminohexanoyl)amino]-2-phenylbenzoyl]amino]benzoic acid Traditional Name: 3-[[4-[(2-acetamido-6-amino-hexanoyl)amino]-2-phenyl-benzoyl]amino]benzoic acid Formula: C28H30N4O5 MolecularWeight: 502.5616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C28H30N4O5/c1-18(33)30-25(12-5-6-15-29)27(35)32-22-13-14-23(24(17-22)19-8-3-2-4-9-19)26(34)31-21-11-7-10-20(16-21)28(36)37/h2-4,7-11,13-14,16-17,25H,5-6,12,15,29H2,1H3,(H,30,33)(H,31,34)(H,32,35)(H,36,37)