5-tert-butyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 5-tert-butyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-tert-butyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 5-tert-butyl-3-[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-tert-butyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 5-tert-butyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C(SC(=N1)C(C)(C)C)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(C)C(C(=O)N1C(SC(=N1)C(C)(C)C)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C27H31N3O5S/c1-15(2)21(22(31)30-23(24(32)33)36-25(29-30)27(3,4)5)28-26(34)35-14-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,15,20-21,23H,14H2,1-5H3,(H,28,34)(H,32,33)