5-(2,2-dimethyl-1-thiophen-2-yl-cyclobutyl)-2-[[5-[(2-methylpropan-2-yl)oxy]-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-2,4-bis(oxidanyl)pentanoic acid

Systemtic Name: 5-(2,2-dimethyl-1-thiophen-2-yl-cyclobutyl)-2-[[5-[(2-methylpropan-2-yl)oxy]-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-2,4-bis(oxidanyl)pentanoic acid Openeye Name: 2-[[4-tert-butoxy-1-(2-tert-butoxycarbonylpyrrolidine-1-carbonyl)-4-oxo-butyl]amino]-5-[2,2-dimethyl-1-(2-thienyl)cyclobutyl]-2,4-dihydroxy-pentanoic acid CAS Name: 5-(2,2-dimethyl-1-thiophen-2-ylcyclobutyl)-2,4-dihydroxy-2-[[5-[(2-methylpropan-2-yl)oxy]-1-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolidinyl]-1,5-dioxopentan-2-yl]amino]pentanoic acid IUPAC Name: 5-(2,2-dimethyl-1-thiophen-2-ylcyclobutyl)-2,4-dihydroxy-2-[[5-[(2-methylpropan-2-yl)oxy]-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]pentanoic acid Traditional Name: 2-[[4-tert-butoxy-1-(2-tert-butoxycarbonylpyrrolidine-1-carbonyl)-4-keto-butyl]amino]-5-[2,2-dimethyl-1-(2-thienyl)cyclobutyl]-2,4-dihydroxy-valeric acid Formula: C33H52N2O9S MolecularWeight: 652.83898

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC1(CC(CC(C(=O)O)(NC(CCC(=O)OC(C)(C)C)C(=O)N2CCCC2C(=O)OC(C)(C)C)O)O)C3=CC=CS3)C

Isomeric SMILES

CC1(CCC1(CC(CC(C(=O)O)(NC(CCC(=O)OC(C)(C)C)C(=O)N2CCCC2C(=O)OC(C)(C)C)O)O)C3=CC=CS3)C

InChI

InChI=1S/C33H52N2O9S/c1-29(2,3)43-25(37)14-13-22(26(38)35-17-9-11-23(35)27(39)44-30(4,5)6)34-33(42,28(40)41)20-21(36)19-32(16-15-31(32,7)8)24-12-10-18-45-24/h10,12,18,21-23,34,36,42H,9,11,13-17,19-20H2,1-8H3,(H,40,41)