tert-butyl 1-[2-[[5-(3,3-dimethyl-1-thiophen-2-yl-cyclobutyl)-1-ethoxy-2,4-bis(oxidanyl)-1-oxidanylidene-pentan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-[[5-(3,3-dimethyl-1-thiophen-2-yl-cyclobutyl)-1-ethoxy-2,4-bis(oxidanyl)-1-oxidanylidene-pentan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-[[4-[3,3-dimethyl-1-(2-thienyl)cyclobutyl]-1-ethoxycarbonyl-1,3-dihydroxy-butyl]amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[[5-(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)-1-ethoxy-2,4-dihydroxy-1-oxopentan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[[5-(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)-1-ethoxy-2,4-dihydroxy-1-oxopentan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[[1-carbethoxy-4-[3,3-dimethyl-1-(2-thienyl)cyclobutyl]-1,3-dihydroxy-butyl]amino]propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C29H46N2O7S MolecularWeight: 566.74974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CC1(CC(C1)(C)C)C2=CC=CS2)O)(NC(C)C(=O)N3CCCC3C(=O)OC(C)(C)C)O

Isomeric SMILES

CCOC(=O)C(CC(CC1(CC(C1)(C)C)C2=CC=CS2)O)(NC(C)C(=O)N3CCCC3C(=O)OC(C)(C)C)O

InChI

InChI=1S/C29H46N2O7S/c1-8-37-25(35)29(36,16-20(32)15-28(17-27(6,7)18-28)22-12-10-14-39-22)30-19(2)23(33)31-13-9-11-21(31)24(34)38-26(3,4)5/h10,12,14,19-21,30,32,36H,8-9,11,13,15-18H2,1-7H3