tert-butyl 3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methylsulfanyl-propanoate

Systemtic Name: tert-butyl 3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methylsulfanyl-propanoate Openeye Name: tert-butyl 3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methylsulfanyl-propanoate CAS Name: 3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-methylamino]-3-methoxy-5-methyl-1-oxoheptyl]-2-pyrrolidinyl]-3-(methylthio)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-[4-[[2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methylsulfanylpropanoate Traditional Name: 3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-(methylthio)propionic acid tert-butyl ester Formula: C34H64N4O6S MolecularWeight: 656.96016

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H64N4O6S/c1-15-23(6)31(37(12)33(42)29(21(2)3)35-32(41)30(22(4)5)36(10)11)25(43-13)19-27(39)38-18-16-17-24(38)26(45-14)20-28(40)44-34(7,8)9/h21-26,29-31H,15-20H2,1-14H3,(H,35,41)