2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[1-[2-[3-[[1-(4-ethanoylphenoxy)-3-phenyl-propan-2-yl]amino]-1-methoxy-2-methyl-3-oxidanylidene-propyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxidanylidene-heptan-4-yl]-N,3-dimethyl-butanamide

Systemtic Name: 2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[1-[2-[3-[[1-(4-ethanoylphenoxy)-3-phenyl-propan-2-yl]amino]-1-methoxy-2-methyl-3-oxidanylidene-propyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxidanylidene-heptan-4-yl]-N,3-dimethyl-butanamide Openeye Name: N-[4-[2-[3-[[1-[(4-acetylphenoxy)methyl]-2-phenyl-ethyl]amino]-1-methoxy-2-methyl-3-oxo-propyl]pyrrolidin-1-yl]-2-methoxy-4-oxo-1-sec-butyl-butyl]-2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N,3-dimethyl-butanamide CAS Name: N-[1-[2-[3-[[1-(4-acetylphenoxy)-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[[2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-N,3-dimethylbutanamide IUPAC Name: N-[1-[2-[3-[[1-(4-acetylphenoxy)-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-N,3-dimethylbutanamide Traditional Name: N-[4-[2-[3-[[1-[(4-acetylphenoxy)methyl]-2-phenyl-ethyl]amino]-3-keto-1-methoxy-2-methyl-propyl]pyrrolidino]-4-keto-2-methoxy-1-sec-butyl-butyl]-2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N,3-dimethyl-butyramide Formula: C48H75N5O8 MolecularWeight: 850.1378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)COC3=CC=C(C=C3)C(=O)C)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

Isomeric SMILES

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)COC3=CC=C(C=C3)C(=O)C)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

InChI

InChI=1S/C48H75N5O8/c1-14-32(6)44(52(11)48(58)42(30(2)3)50-47(57)43(31(4)5)51(9)10)40(59-12)28-41(55)53-26-18-21-39(53)45(60-13)33(7)46(56)49-37(27-35-19-16-15-17-20-35)29-61-38-24-22-36(23-25-38)34(8)54/h15-17,19-20,22-25,30-33,37,39-40,42-45H,14,18,21,26-29H2,1-13H3,(H,49,56)(H,50,57)