(2S)-N-tert-butyl-1-[(2S,4R)-4-(1,2-dihydropyridin-4-ylmethyl)-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-(1,2-dihydropyridin-4-ylmethyl)-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-(1,2-dihydropyridin-4-ylmethyl)-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-(1,2-dihydropyridin-4-ylmethyl)-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-(1,2-dihydropyridin-4-ylmethyl)-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-(1,2-dihydropyridin-4-ylmethyl)-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-keto-pentyl]-4-(3-pyridylmethyl)piperazine-2-carboxamide Formula: C35H48N6O4 MolecularWeight: 616.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CCNC=C2)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](CC2=CCNC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5

InChI

InChI=1S/C35H48N6O4/c1-35(2,3)39-34(45)30-23-40(21-25-7-6-12-37-20-25)15-16-41(30)22-28(42)18-27(17-24-10-13-36-14-11-24)33(44)38-32-29-9-5-4-8-26(29)19-31(32)43/h4-13,20,27-28,30-32,36,42-43H,14-19,21-23H2,1-3H3,(H,38,44)(H,39,45)/t27-,28+,30+,31-,32+/m1/s1