4-[2-acetamido-3-oxidanylidene-3-[[2-oxidanylidene-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-methanoyl-benzoic acid

Systemtic Name: 4-[2-acetamido-3-oxidanylidene-3-[[2-oxidanylidene-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-methanoyl-benzoic acid Openeye Name: 4-[2-acetamido-3-oxo-3-[[2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-formyl-benzoic acid CAS Name: 4-[2-acetamido-3-oxo-3-[[2-oxo-1-[(4-phenylphenyl)methyl]-3-azepanyl]amino]propyl]-2-formylbenzoic acid IUPAC Name: 4-[2-acetamido-3-oxo-3-[[2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-formylbenzoic acid Traditional Name: 4-[2-acetamido-3-keto-3-[[2-keto-1-(4-phenylbenzyl)azepan-3-yl]amino]propyl]-2-formyl-benzoic acid Formula: C32H33N3O6 MolecularWeight: 555.62092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)C(=O)O)C=O)C(=O)NC2CCCCN(C2=O)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C=C1)C(=O)O)C=O)C(=O)NC2CCCCN(C2=O)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H33N3O6/c1-21(37)33-29(18-23-12-15-27(32(40)41)26(17-23)20-36)30(38)34-28-9-5-6-16-35(31(28)39)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,28-29H,5-6,9,16,18-19H2,1H3,(H,33,37)(H,34,38)(H,40,41)