3-[4-[2-[[6-[2-[4-[3-methoxy-3-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]propyl]phenoxy]ethyl-methyl-amino]pyridin-2-yl]-methyl-amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid

Systemtic Name: 3-[4-[2-[[6-[2-[4-[3-methoxy-3-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]propyl]phenoxy]ethyl-methyl-amino]pyridin-2-yl]-methyl-amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid Openeye Name: 2-(2-benzoylanilino)-3-[4-[2-[[6-[2-[4-[2-(2-benzoylanilino)-3-methoxy-3-oxo-propyl]phenoxy]ethyl-methyl-amino]-2-pyridyl]-methyl-amino]ethoxy]phenyl]propanoic acid CAS Name: 2-(2-benzoylanilino)-3-[4-[2-[[6-[2-[4-[2-(2-benzoylanilino)-3-methoxy-3-oxopropyl]phenoxy]ethyl-methylamino]-2-pyridinyl]-methylamino]ethoxy]phenyl]propanoic acid IUPAC Name: 2-(2-benzoylanilino)-3-[4-[2-[[6-[2-[4-[2-(2-benzoylanilino)-3-methoxy-3-oxopropyl]phenoxy]ethyl-methylamino]pyridin-2-yl]-methylamino]ethoxy]phenyl]propanoic acid Traditional Name: 2-(2-benzoylanilino)-3-[4-[2-[[6-[2-[4-[2-(2-benzoylanilino)-3-keto-3-methoxy-propyl]phenoxy]ethyl-methyl-amino]-2-pyridyl]-methyl-amino]ethoxy]phenyl]propionic acid Formula: C56H55N5O8 MolecularWeight: 926.0646

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=NC(=CC=C4)N(C)CCOC5=CC=C(C=C5)CC(C(=O)OC)NC6=CC=CC=C6C(=O)C7=CC=CC=C7

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=NC(=CC=C4)N(C)CCOC5=CC=C(C=C5)CC(C(=O)OC)NC6=CC=CC=C6C(=O)C7=CC=CC=C7

InChI

InChI=1S/C56H55N5O8/c1-60(33-35-68-43-29-25-39(26-30-43)37-49(55(64)65)57-47-21-12-10-19-45(47)53(62)41-15-6-4-7-16-41)51-23-14-24-52(59-51)61(2)34-36-69-44-31-27-40(28-32-44)38-50(56(66)67-3)58-48-22-13-11-20-46(48)54(63)42-17-8-5-9-18-42/h4-32,49-50,57-58H,33-38H2,1-3H3,(H,64,65)