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

Systemtic Name: cyclopentyl (2S)-2-azanyl-5-[[5-(4-chloranyl-3-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: cyclopentyl (2S)-2-amino-5-[[5-(4-chloro-3-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]amino]-5-oxo-pentanoate CAS Name: (2S)-2-amino-5-[[5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-2-thiazolyl]amino]-5-oxopentanoic acid cyclopentyl ester IUPAC Name: cyclopentyl (2S)-2-amino-5-[[5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoate Traditional Name: (2S)-2-amino-5-[[5-(4-chloro-3-mesyl-phenyl)-4-methyl-thiazol-2-yl]amino]-5-keto-valeric acid cyclopentyl ester Formula: C21H26ClN3O5S2 MolecularWeight: 500.03124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCC(C(=O)OC2CCCC2)N)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CC[C@@H](C(=O)OC2CCCC2)N)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H26ClN3O5S2/c1-12-19(13-7-8-15(22)17(11-13)32(2,28)29)31-21(24-12)25-18(26)10-9-16(23)20(27)30-14-5-3-4-6-14/h7-8,11,14,16H,3-6,9-10,23H2,1-2H3,(H,24,25,26)/t16-/m0/s1