2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[3-methoxy-1-[5-[1-methoxy-2-methyl-3-oxidanylidene-3-[(phenylmethyl)-(1,3-thiazol-2-yl)amino]propyl]pyrrolidin-2-yl]-5-methyl-1-oxidanylidene-heptan-4-yl]-N,3-dimethyl-pentanamide

Systemtic Name: 2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[3-methoxy-1-[5-[1-methoxy-2-methyl-3-oxidanylidene-3-[(phenylmethyl)-(1,3-thiazol-2-yl)amino]propyl]pyrrolidin-2-yl]-5-methyl-1-oxidanylidene-heptan-4-yl]-N,3-dimethyl-pentanamide Openeye Name: N-[4-[5-[3-[benzyl(thiazol-2-yl)amino]-1-methoxy-2-methyl-3-oxo-propyl]pyrrolidin-2-yl]-2-methoxy-4-oxo-1-sec-butyl-butyl]-2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N,3-dimethyl-pentanamide CAS Name: 2-[[2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-N-[3-methoxy-1-[5-[1-methoxy-2-methyl-3-oxo-3-[(phenylmethyl)-(2-thiazolyl)amino]propyl]-2-pyrrolidinyl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylpentanamide IUPAC Name: N-[1-[5-[3-[benzyl(1,3-thiazol-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-2-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-N,3-dimethylpentanamide Traditional Name: N-[4-[5-[3-[benzyl(thiazol-2-yl)amino]-3-keto-1-methoxy-2-methyl-propyl]pyrrolidin-2-yl]-4-keto-2-methoxy-1-sec-butyl-butyl]-2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N,3-dimethyl-valeramide Formula: C42H68N6O6S MolecularWeight: 785.09092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)C1CCC(N1)C(C(C)C(=O)N(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)CC)NC(=O)C(C(C)C)N(C)C

Isomeric SMILES

CCC(C)C(C(CC(=O)C1CCC(N1)C(C(C)C(=O)N(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)CC)NC(=O)C(C(C)C)N(C)C

InChI

InChI=1S/C42H68N6O6S/c1-13-27(5)35(45-39(50)36(26(3)4)46(8)9)41(52)47(10)37(28(6)14-2)34(53-11)24-33(49)31-20-21-32(44-31)38(54-12)29(7)40(51)48(42-43-22-23-55-42)25-30-18-16-15-17-19-30/h15-19,22-23,26-29,31-32,34-38,44H,13-14,20-21,24-25H2,1-12H3,(H,45,50)