tert-butyl (2R)-2-azanyl-5-[[5-(4-chloranyl-3-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (2R)-2-azanyl-5-[[5-(4-chloranyl-3-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (2R)-2-amino-5-[[5-(4-chloro-3-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]amino]-5-oxo-pentanoate CAS Name: (2R)-2-amino-5-[[5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-2-thiazolyl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-amino-5-[[5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoate Traditional Name: (2R)-2-amino-5-[[5-(4-chloro-3-mesyl-phenyl)-4-methyl-thiazol-2-yl]amino]-5-keto-valeric acid tert-butyl ester Formula: C20H26ClN3O5S2 MolecularWeight: 488.02054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCC(C(=O)OC(C)(C)C)N)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CC[C@H](C(=O)OC(C)(C)C)N)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H26ClN3O5S2/c1-11-17(12-6-7-13(21)15(10-12)31(5,27)28)30-19(23-11)24-16(25)9-8-14(22)18(26)29-20(2,3)4/h6-7,10,14H,8-9,22H2,1-5H3,(H,23,24,25)/t14-/m1/s1