O1-(4-naphthalen-2-ylbutanoylamino) O6-(phenylmethyl) 2-[[1-(phenylmethyl)indol-3-yl]carbonylamino]hexanedioate

Systemtic Name: O1-(4-naphthalen-2-ylbutanoylamino) O6-(phenylmethyl) 2-[[1-(phenylmethyl)indol-3-yl]carbonylamino]hexanedioate Openeye Name: O6-benzyl O1-[4-(2-naphthyl)butanoylamino] 2-[(1-benzylindole-3-carbonyl)amino]hexanedioate CAS Name: 2-[[oxo-[1-(phenylmethyl)-3-indolyl]methyl]amino]hexanedioic acid O1-[[4-(2-naphthalenyl)-1-oxobutyl]amino] ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(4-naphthalen-2-ylbutanoylamino) 2-[(1-benzylindole-3-carbonyl)amino]hexanedioate Traditional Name: 2-[(1-benzylindole-3-carbonyl)amino]adipic acid O6-benzyl ester O1-[4-(2-naphthyl)butanoylamino] ester Formula: C43H41N3O6 MolecularWeight: 695.80214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)NC(CCCC(=O)OCC4=CC=CC=C4)C(=O)ONC(=O)CCCC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)NC(CCCC(=O)OCC4=CC=CC=C4)C(=O)ONC(=O)CCCC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C43H41N3O6/c47-40(23-11-17-31-25-26-34-18-7-8-19-35(34)27-31)45-52-43(50)38(21-12-24-41(48)51-30-33-15-5-2-6-16-33)44-42(49)37-29-46(28-32-13-3-1-4-14-32)39-22-10-9-20-36(37)39/h1-10,13-16,18-20,22,25-27,29,38H,11-12,17,21,23-24,28,30H2,(H,44,49)(H,45,47)