N-butyl-6-cyclohexyl-4-oxidanyl-2-(2-oxidanylpropan-2-yl)-N-propanoyl-3-[2-(1,3-thiazol-4-ylamino)propanoylamino]hexanamide

Systemtic Name: N-butyl-6-cyclohexyl-4-oxidanyl-2-(2-oxidanylpropan-2-yl)-N-propanoyl-3-[2-(1,3-thiazol-4-ylamino)propanoylamino]hexanamide Openeye Name: N-butyl-6-cyclohexyl-4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-N-propanoyl-3-[2-(thiazol-4-ylamino)propanoylamino]hexanamide CAS Name: N-butyl-6-cyclohexyl-4-hydroxy-2-(2-hydroxypropan-2-yl)-N-(1-oxopropyl)-3-[[1-oxo-2-(4-thiazolylamino)propyl]amino]hexanamide IUPAC Name: N-butyl-6-cyclohexyl-4-hydroxy-2-(2-hydroxypropan-2-yl)-N-propanoyl-3-[2-(1,3-thiazol-4-ylamino)propanoylamino]hexanamide Traditional Name: N-butyl-6-cyclohexyl-4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-N-propionyl-3-[2-(thiazol-4-ylamino)propanoylamino]hexanamide Formula: C28H48N4O5S MolecularWeight: 552.76952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)CC)C(=O)C(C(C(CCC1CCCCC1)O)NC(=O)C(C)NC2=CSC=N2)C(C)(C)O

Isomeric SMILES

CCCCN(C(=O)CC)C(=O)C(C(C(CCC1CCCCC1)O)NC(=O)C(C)NC2=CSC=N2)C(C)(C)O

InChI

InChI=1S/C28H48N4O5S/c1-6-8-16-32(23(34)7-2)27(36)24(28(4,5)37)25(21(33)15-14-20-12-10-9-11-13-20)31-26(35)19(3)30-22-17-38-18-29-22/h17-21,24-25,30,33,37H,6-16H2,1-5H3,(H,31,35)