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

Systemtic Name: 2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[3-methoxy-5-methyl-1-[2-[1-methylsulfanyl-3-(naphthalen-2-ylmethylamino)-3-oxidanylidene-propyl]pyrrolidin-1-yl]-1-oxidanylidene-heptan-4-yl]-N,3-dimethyl-butanamide Openeye Name: 2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[2-methoxy-4-[2-[1-methylsulfanyl-3-(2-naphthylmethylamino)-3-oxo-propyl]pyrrolidin-1-yl]-4-oxo-1-sec-butyl-butyl]-N,3-dimethyl-butanamide CAS Name: 2-[[2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-N-[3-methoxy-5-methyl-1-[2-[1-(methylthio)-3-(2-naphthalenylmethylamino)-3-oxopropyl]-1-pyrrolidinyl]-1-oxoheptan-4-yl]-N,3-dimethylbutanamide IUPAC Name: 2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-N-[3-methoxy-5-methyl-1-[2-[1-methylsulfanyl-3-(naphthalen-2-ylmethylamino)-3-oxopropyl]pyrrolidin-1-yl]-1-oxoheptan-4-yl]-N,3-dimethylbutanamide Traditional Name: 2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[4-keto-4-[2-[3-keto-1-(methylthio)-3-(2-naphthylmethylamino)propyl]pyrrolidino]-2-methoxy-1-sec-butyl-butyl]-N,3-dimethyl-butyramide Formula: C41H65N5O5S MolecularWeight: 740.0503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)N1CCCC1C(CC(=O)NCC2=CC3=CC=CC=C3C=C2)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)NCC2=CC3=CC=CC=C3C=C2)SC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

InChI

InChI=1S/C41H65N5O5S/c1-12-28(6)39(45(9)41(50)37(26(2)3)43-40(49)38(27(4)5)44(7)8)33(51-10)23-36(48)46-21-15-18-32(46)34(52-11)24-35(47)42-25-29-19-20-30-16-13-14-17-31(30)22-29/h13-14,16-17,19-20,22,26-28,32-34,37-39H,12,15,18,21,23-25H2,1-11H3,(H,42,47)(H,43,49)