(2S)-N-tert-butyl-1-[(2S,4S)-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-pentyl]-4-(3-phenylpropanoyl)piperazine-2-carboxamide

Systemtic Name: (2S)-N-tert-butyl-1-[(2S,4S)-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-pentyl]-4-(3-phenylpropanoyl)piperazine-2-carboxamide Openeye Name: (2S)-N-tert-butyl-1-[(2S,4S)-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-4-[[4-(2-morpholinoethoxy)phenyl]methyl]-5-oxo-pentyl]-4-(3-phenylpropanoyl)piperazine-2-carboxamide CAS Name: (2S)-N-tert-butyl-1-[(2S,4S)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[[4-[2-(4-morpholinyl)ethoxy]phenyl]methyl]-5-oxopentyl]-4-(1-oxo-3-phenylpropyl)-2-piperazinecarboxamide IUPAC Name: (2S)-N-tert-butyl-1-[(2S,4S)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-5-oxopentyl]-4-(3-phenylpropanoyl)piperazine-2-carboxamide Traditional Name: (2S)-N-tert-butyl-4-hydrocinnamoyl-1-[(2S,4S)-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-keto-4-[4-(2-morpholinoethoxy)benzyl]pentyl]piperazine-2-carboxamide Formula: C45H61N5O7 MolecularWeight: 783.99514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=C(C=C2)OCCN3CCOCC3)C(=O)NC4C(CC5=CC=CC=C45)O)O)C(=O)CCC6=CC=CC=C6

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@H](CC2=CC=C(C=C2)OCCN3CCOCC3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O)C(=O)CCC6=CC=CC=C6

InChI

InChI=1S/C45H61N5O7/c1-45(2,3)47-44(55)39-31-50(41(53)18-15-32-9-5-4-6-10-32)20-19-49(39)30-36(51)28-35(43(54)46-42-38-12-8-7-11-34(38)29-40(42)52)27-33-13-16-37(17-14-33)57-26-23-48-21-24-56-25-22-48/h4-14,16-17,35-36,39-40,42,51-52H,15,18-31H2,1-3H3,(H,46,54)(H,47,55)/t35-,36-,39-,40+,42-/m0/s1