2-[[2-[2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-N-[2-[3-[11-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-[4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-3,5,8,10,12,14-hexamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxidanylidene-ethyl]-4-methyl-pentanamide

Systemtic Name: 2-[[2-[2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-N-[2-[3-[11-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-[4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-3,5,8,10,12,14-hexamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxidanylidene-ethyl]-4-methyl-pentanamide Openeye Name: 2-[[2-[[2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-N-[2-[3-[13-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-11-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: 2-[[2-[[2-[[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-N-[2-[3-[13-[(4,5-dihydroxy-4,6-dimethyl-2-oxanyl)oxy]-11-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxoethyl]-4-methylpentanamide IUPAC Name: 2-[[2-[[2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-N-[2-[3-[13-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxoethyl]-4-methylpentanamide Traditional Name: 2-[[2-[[2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-N-[2-[3-[13-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-11-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-15-keto-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-keto-ethyl]-4-methyl-valeramide Formula: C77H115ClN8O19 MolecularWeight: 1492.2322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)CCCNC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)CC5=C(N(C6=C5C=C(C=C6)OC)C(=O)C7=CC=C(C=C7)Cl)C)C)O)(C)O

Isomeric SMILES

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)CCCNC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)CC5=C(N(C6=C5C=C(C=C6)OC)C(=O)C7=CC=C(C=C7)Cl)C)C)O)(C)O

InChI

InChI=1S/C77H115ClN8O19/c1-17-60-77(13,99)67(91)48(9)85(41-43(4)37-76(12,98)69(105-74-65(90)59(84(14)15)33-44(5)101-74)45(6)66(46(7)73(96)103-60)104-64-38-75(11,97)68(92)49(10)102-64)31-21-30-79-62(88)39-81-70(93)56(32-42(2)3)83-71(94)57(34-50-22-19-18-20-23-50)82-63(89)40-80-61(87)36-54-47(8)86(58-29-28-53(100-16)35-55(54)58)72(95)51-24-26-52(78)27-25-51/h18-20,22-29,35,42-46,48-49,56-57,59-60,64-69,74,90-92,97-99H,17,21,30-34,36-41H2,1-16H3,(H,79,88)(H,80,87)(H,81,93)(H,82,89)(H,83,94)