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

Systemtic Name: (2S)-N-tert-butyl-1-[(2S,4R)-4-(cyclohexylmethyl)-2-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-pentyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide Openeye Name: (2S)-N-tert-butyl-1-[(2S,4R)-4-(cyclohexylmethyl)-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-4-(3-pyridylmethyl)piperazine-2-carboxamide CAS Name: (2S)-N-tert-butyl-1-[(2S,4R)-4-(cyclohexylmethyl)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-(3-pyridinylmethyl)-2-piperazinecarboxamide IUPAC Name: (2S)-N-tert-butyl-1-[(2S,4R)-4-(cyclohexylmethyl)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide Traditional Name: (2S)-N-tert-butyl-1-[(2S,4R)-4-(cyclohexylmethyl)-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-keto-pentyl]-4-(3-pyridylmethyl)piperazine-2-carboxamide Formula: C36H53N5O4 MolecularWeight: 619.83712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2CCCCC2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2CCCCC2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5

InChI

InChI=1S/C36H53N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h7-9,12-15,21,25,28-29,31-33,42-43H,4-6,10-11,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1