(2S,4S,5S)-6-cyclohexyl-N-[2-(2-hydroxyethylamino)-2-methyl-propyl]-5-[[(2S)-2-[[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]hexanoyl]amino]-4-oxidanyl-2-propan-2-yl-hexanamide

Systemtic Name: (2S,4S,5S)-6-cyclohexyl-N-[2-(2-hydroxyethylamino)-2-methyl-propyl]-5-[[(2S)-2-[[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]hexanoyl]amino]-4-oxidanyl-2-propan-2-yl-hexanamide Openeye Name: (2S,4S,5S)-5-[[(2S)-2-[[(1S)-1-benzyl-2-[4-(methoxymethoxy)-1-piperidyl]-2-oxo-ethyl]amino]hexanoyl]amino]-6-cyclohexyl-4-hydroxy-N-[2-(2-hydroxyethylamino)-2-methyl-propyl]-2-isopropyl-hexanamide CAS Name: (2S,4S,5S)-6-cyclohexyl-4-hydroxy-N-[2-(2-hydroxyethylamino)-2-methylpropyl]-5-[[(2S)-2-[[(2S)-1-[4-(methoxymethoxy)-1-piperidinyl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexyl]amino]-2-propan-2-ylhexanamide IUPAC Name: (2S,4S,5S)-6-cyclohexyl-4-hydroxy-N-[2-(2-hydroxyethylamino)-2-methylpropyl]-5-[[(2S)-2-[[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]hexanoyl]amino]-2-propan-2-ylhexanamide Traditional Name: (2S,4S,5S)-5-[[(2S)-2-[[(1S)-1-benzyl-2-keto-2-[4-(methoxymethoxy)piperidino]ethyl]amino]hexanoyl]amino]-6-cyclohexyl-4-hydroxy-N-[2-(2-hydroxyethylamino)-2-methyl-propyl]-2-isopropyl-hexanamide Formula: C43H75N5O7 MolecularWeight: 774.0849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC1CCCCC1)C(CC(C(C)C)C(=O)NCC(C)(C)NCCO)O)NC(CC2=CC=CC=C2)C(=O)N3CCC(CC3)OCOC

Isomeric SMILES

CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)NCCO)O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC(CC3)OCOC

InChI

InChI=1S/C43H75N5O7/c1-7-8-19-36(46-38(27-33-17-13-10-14-18-33)42(53)48-23-20-34(21-24-48)55-30-54-6)41(52)47-37(26-32-15-11-9-12-16-32)39(50)28-35(31(2)3)40(51)44-29-43(4,5)45-22-25-49/h10,13-14,17-18,31-32,34-39,45-46,49-50H,7-9,11-12,15-16,19-30H2,1-6H3,(H,44,51)(H,47,52)/t35-,36-,37-,38-,39-/m0/s1