tert-butyl (2S)-2-[[(2R)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[(2R)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[(2R)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2R)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methyl-1-oxopentyl]-methylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2R)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methylpentanoyl]-methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2R)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butyric acid tert-butyl ester Formula: C23H35N3O5S2 MolecularWeight: 497.6711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C)C(C(C)C)C(=O)OC(C)(C)C)NS(=O)(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C[C@H](C(=O)N(C)[C@@H](C(C)C)C(=O)OC(C)(C)C)NS(=O)(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C23H35N3O5S2/c1-14(2)13-17(20(27)26(8)19(15(3)4)21(28)31-23(5,6)7)25-33(29,30)22-24-16-11-9-10-12-18(16)32-22/h9-12,14-15,17,19,25H,13H2,1-8H3/t17-,19+/m1/s1