(2S)-4-[[2,6-bis(fluoranyl)phenyl]methyl]-N-tert-butyl-1-[(2S,4R)-2-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(pyridin-4-ylmethyl)pentyl]piperazine-2-carboxamide

Systemtic Name: (2S)-4-[[2,6-bis(fluoranyl)phenyl]methyl]-N-tert-butyl-1-[(2S,4R)-2-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(pyridin-4-ylmethyl)pentyl]piperazine-2-carboxamide Openeye Name: (2S)-N-tert-butyl-4-[(2,6-difluorophenyl)methyl]-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-4-(4-pyridylmethyl)pentyl]piperazine-2-carboxamide CAS Name: (2S)-N-tert-butyl-4-[(2,6-difluorophenyl)methyl]-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(pyridin-4-ylmethyl)pentyl]-2-piperazinecarboxamide IUPAC Name: (2S)-N-tert-butyl-4-[(2,6-difluorophenyl)methyl]-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(pyridin-4-ylmethyl)pentyl]piperazine-2-carboxamide Traditional Name: (2S)-N-tert-butyl-4-(2,6-difluorobenzyl)-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-keto-4-(4-pyridylmethyl)pentyl]piperazine-2-carboxamide Formula: C36H45F2N5O4 MolecularWeight: 649.770406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=NC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=C(C=CC=C5F)F

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=NC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=C(C=CC=C5F)F

InChI

InChI=1S/C36H45F2N5O4/c1-36(2,3)41-35(47)31-22-42(21-28-29(37)9-6-10-30(28)38)15-16-43(31)20-26(44)18-25(17-23-11-13-39-14-12-23)34(46)40-33-27-8-5-4-7-24(27)19-32(33)45/h4-14,25-26,31-33,44-45H,15-22H2,1-3H3,(H,40,46)(H,41,47)/t25-,26+,31+,32-,33+/m1/s1