N-[(2S)-1-[[(2R)-1-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(2R)-1-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]quinoline-2-carboxamide Openeye Name: N-[(1S)-1-[[(2R)-1-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(3-pyridylmethoxy)-1-piperidyl]-2-hydroxy-4-phenyl-butyl]carbamoyl]-2-methyl-propyl]quinoline-2-carboxamide CAS Name: N-[(2S)-1-[[(2R)-1-[(2S,4R)-2-[(tert-butylamino)-oxomethyl]-4-(3-pyridinylmethoxy)-1-piperidinyl]-2-hydroxy-4-phenylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-1-[[(2R)-1-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-hydroxy-4-phenylbutyl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide Traditional Name: N-[(1S)-1-[[(2R)-1-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(3-pyridylmethoxy)piperidino]-2-hydroxy-4-phenyl-butyl]carbamoyl]-2-methyl-propyl]quinaldamide Formula: C41H52N6O5 MolecularWeight: 708.88878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(CCC1=CC=CC=C1)O)N2CCC(CC2C(=O)NC(C)(C)C)OCC3=CN=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)NC([C@@H](CCC1=CC=CC=C1)O)N2CC[C@H](C[C@H]2C(=O)NC(C)(C)C)OCC3=CN=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C41H52N6O5/c1-27(2)36(44-38(49)33-19-18-30-15-9-10-16-32(30)43-33)40(51)45-37(35(48)20-17-28-12-7-6-8-13-28)47-23-21-31(52-26-29-14-11-22-42-25-29)24-34(47)39(50)46-41(3,4)5/h6-16,18-19,22,25,27,31,34-37,48H,17,20-21,23-24,26H2,1-5H3,(H,44,49)(H,45,51)(H,46,50)/t31-,34+,35-,36+,37?/m1/s1