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

Systemtic Name: (2S)-N-tert-butyl-1-[(2S,4R)-5-[[(1S,2R)-4-chloranyl-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-4-(cyclopropylmethyl)-2-oxidanyl-5-oxidanylidene-pentyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide Openeye Name: (2S)-N-tert-butyl-1-[(2S,4R)-5-[[(1S,2R)-4-chloro-2-hydroxy-indan-1-yl]amino]-4-(cyclopropylmethyl)-2-hydroxy-5-oxo-pentyl]-4-(3-pyridylmethyl)piperazine-2-carboxamide CAS Name: (2S)-N-tert-butyl-1-[(2S,4R)-5-[[(1S,2R)-4-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-(cyclopropylmethyl)-2-hydroxy-5-oxopentyl]-4-(3-pyridinylmethyl)-2-piperazinecarboxamide IUPAC Name: (2S)-N-tert-butyl-1-[(2S,4R)-5-[[(1S,2R)-4-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-(cyclopropylmethyl)-2-hydroxy-5-oxopentyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide Traditional Name: (2S)-N-tert-butyl-1-[(2S,4R)-5-[[(1S,2R)-4-chloro-2-hydroxy-indan-1-yl]amino]-4-(cyclopropylmethyl)-2-hydroxy-5-keto-pentyl]-4-(3-pyridylmethyl)piperazine-2-carboxamide Formula: C33H46ClN5O4 MolecularWeight: 612.20244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2CC2)C(=O)NC3C(CC4=C3C=CC=C4Cl)O)O)CC5=CN=CC=C5

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2CC2)C(=O)N[C@@H]3[C@@H](CC4=C3C=CC=C4Cl)O)O)CC5=CN=CC=C5

InChI

InChI=1S/C33H46ClN5O4/c1-33(2,3)37-32(43)28-20-38(18-22-6-5-11-35-17-22)12-13-39(28)19-24(40)15-23(14-21-9-10-21)31(42)36-30-25-7-4-8-27(34)26(25)16-29(30)41/h4-8,11,17,21,23-24,28-30,40-41H,9-10,12-16,18-20H2,1-3H3,(H,36,42)(H,37,43)/t23-,24+,28+,29-,30+/m1/s1