N-[(2S,3S,5R)-5-cyclohexyl-3-oxidanyl-5-(4-oxidanylidenepentanoylamino)-1-phenyl-pentan-2-yl]-4-fluoranyl-2-oxidanyl-benzamide

Systemtic Name: N-[(2S,3S,5R)-5-cyclohexyl-3-oxidanyl-5-(4-oxidanylidenepentanoylamino)-1-phenyl-pentan-2-yl]-4-fluoranyl-2-oxidanyl-benzamide Openeye Name: N-[(1S,2S,4R)-1-benzyl-4-cyclohexyl-2-hydroxy-4-(4-oxopentanoylamino)butyl]-4-fluoro-2-hydroxy-benzamide CAS Name: N-[(2S,3S,5R)-5-cyclohexyl-5-(1,4-dioxopentylamino)-3-hydroxy-1-phenylpentan-2-yl]-4-fluoro-2-hydroxybenzamide IUPAC Name: N-[(2S,3S,5R)-5-cyclohexyl-3-hydroxy-5-(4-oxopentanoylamino)-1-phenylpentan-2-yl]-4-fluoro-2-hydroxybenzamide Traditional Name: N-[(1S,2S,4R)-1-benzyl-4-cyclohexyl-2-hydroxy-4-(4-ketopentanoylamino)butyl]-4-fluoro-2-hydroxy-benzamide Formula: C29H37FN2O5 MolecularWeight: 512.612883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)NC(CC(C(CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)F)O)O)C3CCCCC3

Isomeric SMILES

CC(=O)CCC(=O)N[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)F)O)O)C3CCCCC3

InChI

InChI=1S/C29H37FN2O5/c1-19(33)12-15-28(36)31-24(21-10-6-3-7-11-21)18-27(35)25(16-20-8-4-2-5-9-20)32-29(37)23-14-13-22(30)17-26(23)34/h2,4-5,8-9,13-14,17,21,24-25,27,34-35H,3,6-7,10-12,15-16,18H2,1H3,(H,31,36)(H,32,37)/t24-,25+,27+/m1/s1