N-[2-methyl-4-[[1-[3-[1-[[3-methyl-4-(quinolin-2-ylcarbonylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-4-oxidanylidene-butyl]quinoline-2-carboxamide

Systemtic Name: N-[2-methyl-4-[[1-[3-[1-[[3-methyl-4-(quinolin-2-ylcarbonylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-4-oxidanylidene-butyl]quinoline-2-carboxamide Openeye Name: N-[2-methyl-4-[[1-[3-[1-[[3-methyl-4-(quinoline-2-carbonylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-4-oxo-butyl]quinoline-2-carboxamide CAS Name: N-[2-methyl-4-[[1-[3-[1-[[3-methyl-1-oxo-4-[[oxo(2-quinolinyl)methyl]amino]butyl]amino]-2-phenylethyl]-2-oxiranyl]-2-phenylethyl]amino]-4-oxobutyl]-2-quinolinecarboxamide IUPAC Name: N-[2-methyl-4-[[1-[3-[1-[[3-methyl-4-(quinoline-2-carbonylamino)butanoyl]amino]-2-phenylethyl]oxiran-2-yl]-2-phenylethyl]amino]-4-oxobutyl]quinoline-2-carboxamide Traditional Name: N-[4-keto-2-methyl-4-[[1-[3-[1-[[3-methyl-4-(quinaldoylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]butyl]quinaldamide Formula: C48H50N6O5 MolecularWeight: 790.9478

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(CC1=CC=CC=C1)C2C(O2)C(CC3=CC=CC=C3)NC(=O)CC(C)CNC(=O)C4=NC5=CC=CC=C5C=C4)CNC(=O)C6=NC7=CC=CC=C7C=C6

Isomeric SMILES

CC(CC(=O)NC(CC1=CC=CC=C1)C2C(O2)C(CC3=CC=CC=C3)NC(=O)CC(C)CNC(=O)C4=NC5=CC=CC=C5C=C4)CNC(=O)C6=NC7=CC=CC=C7C=C6

InChI

InChI=1S/C48H50N6O5/c1-31(29-49-47(57)39-23-21-35-17-9-11-19-37(35)51-39)25-43(55)53-41(27-33-13-5-3-6-14-33)45-46(59-45)42(28-34-15-7-4-8-16-34)54-44(56)26-32(2)30-50-48(58)40-24-22-36-18-10-12-20-38(36)52-40/h3-24,31-32,41-42,45-46H,25-30H2,1-2H3,(H,49,57)(H,50,58)(H,53,55)(H,54,56)