O1-[7-azanyl-1-cyclohexyl-10-(1H-imidazol-5-yl)-6-methyl-9-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-8-oxidanylidene-decan-3-yl] O4-tert-butyl butanedioate

Systemtic Name: O1-[7-azanyl-1-cyclohexyl-10-(1H-imidazol-5-yl)-6-methyl-9-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-8-oxidanylidene-decan-3-yl] O4-tert-butyl butanedioate Openeye Name: O1-[5-amino-1-(2-cyclohexylethyl)-3-hydroxy-8-(1H-imidazol-5-yl)-4-methyl-7-[[4-morpholino-2-(1-naphthylmethyl)-4-oxo-butanoyl]amino]-6-oxo-octyl] O4-tert-butyl butanedioate CAS Name: butanedioic acid O1-[7-amino-1-cyclohexyl-5-hydroxy-10-(1H-imidazol-5-yl)-6-methyl-9-[[4-(4-morpholinyl)-2-(1-naphthalenylmethyl)-1,4-dioxobutyl]amino]-8-oxodecan-3-yl] ester O4-tert-butyl ester IUPAC Name: 1-O-[7-amino-1-cyclohexyl-5-hydroxy-10-(1H-imidazol-5-yl)-6-methyl-9-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]-8-oxodecan-3-yl] 4-O-tert-butyl butanedioate Traditional Name: succinic acid O1-[5-amino-1-(2-cyclohexylethyl)-3-hydroxy-8-(1H-imidazol-5-yl)-6-keto-7-[[4-keto-4-morpholino-2-(1-naphthylmethyl)butanoyl]amino]-4-methyl-octyl] ester O4-tert-butyl ester Formula: C47H67N5O9 MolecularWeight: 846.06298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(CCC1CCCCC1)OC(=O)CCC(=O)OC(C)(C)C)O)C(C(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC4=CC=CC=C43)CC(=O)N5CCOCC5)N

Isomeric SMILES

CC(C(CC(CCC1CCCCC1)OC(=O)CCC(=O)OC(C)(C)C)O)C(C(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC4=CC=CC=C43)CC(=O)N5CCOCC5)N

InChI

InChI=1S/C47H67N5O9/c1-31(40(53)28-37(18-17-32-11-6-5-7-12-32)60-42(55)19-20-43(56)61-47(2,3)4)44(48)45(57)39(27-36-29-49-30-50-36)51-46(58)35(26-41(54)52-21-23-59-24-22-52)25-34-15-10-14-33-13-8-9-16-38(33)34/h8-10,13-16,29-32,35,37,39-40,44,53H,5-7,11-12,17-28,48H2,1-4H3,(H,49,50)(H,51,58)