3-(ethylamino)-N-[(2S,3R)-4-[2,2,3,3,4,4,4-heptakis(fluoranyl)butylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: 3-(ethylamino)-N-[(2S,3R)-4-[2,2,3,3,4,4,4-heptakis(fluoranyl)butylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[(1S,2R)-1-benzyl-3-(2,2,3,3,4,4,4-heptafluorobutylamino)-2-hydroxy-propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide CAS Name: 3-(ethylamino)-N-[(2S,3R)-4-(2,2,3,3,4,4,4-heptafluorobutylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: 3-(ethylamino)-N-[(2S,3R)-4-(2,2,3,3,4,4,4-heptafluorobutylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[(1S,2R)-1-benzyl-3-(2,2,3,3,4,4,4-heptafluorobutylamino)-2-hydroxy-propyl]-3-(ethylamino)-5-(2-ketopyrrolidino)benzamide Formula: C27H31F7N4O3 MolecularWeight: 592.548862

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=CC(=C1)N2CCCC2=O)C(=O)NC(CC3=CC=CC=C3)C(CNCC(C(C(F)(F)F)(F)F)(F)F)O

Isomeric SMILES

CCNC1=CC(=CC(=C1)N2CCCC2=O)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CNCC(C(C(F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C27H31F7N4O3/c1-2-36-19-12-18(13-20(14-19)38-10-6-9-23(38)40)24(41)37-21(11-17-7-4-3-5-8-17)22(39)15-35-16-25(28,29)26(30,31)27(32,33)34/h3-5,7-8,12-14,21-22,35-36,39H,2,6,9-11,15-16H2,1H3,(H,37,41)/t21-,22+/m0/s1