2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[1-[2-[3-[ethyl-(4-hydroxyphenyl)amino]-1-methylsulfanyl-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-[ethyl-(4-hydroxyphenyl)amino]-1-methylsulfanyl-3-oxidanylidene-propyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxidanylidene-heptan-4-yl]-N,3-dimethyl-butanamide Openeye Name: 2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[4-[2-[3-(N-ethyl-4-hydroxy-anilino)-1-methylsulfanyl-3-oxo-propyl]pyrrolidin-1-yl]-2-methoxy-4-oxo-1-sec-butyl-butyl]-N,3-dimethyl-butanamide CAS Name: 2-[[2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-N-[1-[2-[3-(N-ethyl-4-hydroxyanilino)-1-(methylthio)-3-oxopropyl]-1-pyrrolidinyl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide IUPAC Name: 2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-N-[1-[2-[3-(N-ethyl-4-hydroxyanilino)-1-methylsulfanyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide Traditional Name: 2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[4-[2-[3-(N-ethyl-4-hydroxy-anilino)-3-keto-1-(methylthio)propyl]pyrrolidino]-4-keto-2-methoxy-1-sec-butyl-butyl]-N,3-dimethyl-butyramide Formula: C38H65N5O6S MolecularWeight: 720.0176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)N1CCCC1C(CC(=O)N(CC)C2=CC=C(C=C2)O)SC)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(CC(=O)N(CC)C2=CC=C(C=C2)O)SC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

InChI

InChI=1S/C38H65N5O6S/c1-13-26(7)36(41(10)38(48)34(24(3)4)39-37(47)35(25(5)6)40(8)9)30(49-11)22-32(45)43-21-15-16-29(43)31(50-12)23-33(46)42(14-2)27-17-19-28(44)20-18-27/h17-20,24-26,29-31,34-36,44H,13-16,21-23H2,1-12H3,(H,39,47)