ethyl 2-[[2-(1-azanyl-3-methyl-butyl)-1,3-thiazol-4-yl]carbonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: ethyl 2-[[2-(1-azanyl-3-methyl-butyl)-1,3-thiazol-4-yl]carbonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[[2-(1-amino-3-methyl-butyl)thiazole-4-carbonyl]amino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[[[2-(1-amino-3-methylbutyl)-4-thiazolyl]-oxomethyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-amino-3-methylbutyl)-1,3-thiazole-4-carbonyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-[[2-(1-amino-3-methyl-butyl)thiazole-4-carbonyl]amino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C24H36N4O5S2 MolecularWeight: 524.69644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)C2=CSC(=N2)C(CC(C)C)N

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)C2=CSC(=N2)C(CC(C)C)N

InChI

InChI=1S/C24H36N4O5S2/c1-5-33-24(30)20(27-22(29)21-15-34-23(28-21)19(25)14-16(2)3)8-6-7-13-26-35(31,32)18-11-9-17(4)10-12-18/h9-12,15-16,19-20,26H,5-8,13-14,25H2,1-4H3,(H,27,29)