[4-[[(2S)-1-[[3-[[(2S,3S)-5-[[(2S,3S)-1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyclohexyl-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [4-[[(2S)-1-[[3-[[(2S,3S)-5-[[(2S,3S)-1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyclohexyl-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [4-[[(1S)-2-[[3-[[(1S,2S)-4-[[(1S,2S)-1-[(4-amino-2-methyl-pyrimidin-5-yl)methylcarbamoyl]-2-methyl-butyl]amino]-1-(cyclohexylmethyl)-2-hydroxy-4-oxo-butyl]amino]-3-oxo-propyl]amino]-1-benzyl-2-oxo-ethyl]amino]-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-[[(2S)-1-[[3-[[(2S,3S)-5-[[(2S,3S)-1-[(4-amino-2-methyl-5-pyrimidinyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutyl]-trimethylammonium IUPAC Name: [4-[[(2S)-1-[[3-[[(2S,3S)-5-[[(2S,3S)-1-[(4-amino-2-methylpyrimidin-5-yl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutyl]-trimethylazanium Traditional Name: [4-[[(1S)-2-[[3-[[(1S,2S)-4-[[(1S,2S)-1-[(4-amino-2-methyl-pyrimidin-5-yl)methylcarbamoyl]-2-methyl-butyl]amino]-1-(cyclohexylmethyl)-2-hydroxy-4-keto-butyl]amino]-3-keto-propyl]amino]-1-benzyl-2-keto-ethyl]amino]-4-keto-butyl]-trimethyl-ammonium Formula: C42H68N9O6+ MolecularWeight: 795.04602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CN=C(N=C1N)C)NC(=O)CC(C(CC2CCCCC2)NC(=O)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)CCC[N+](C)(C)C)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1=CN=C(N=C1N)C)NC(=O)C[C@@H]([C@H](CC2CCCCC2)NC(=O)CCNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CCC[N+](C)(C)C)O

InChI

InChI=1S/C42H67N9O6/c1-7-28(2)39(42(57)46-27-32-26-45-29(3)47-40(32)43)50-38(55)25-35(52)33(23-30-15-10-8-11-16-30)48-37(54)20-21-44-41(56)34(24-31-17-12-9-13-18-31)49-36(53)19-14-22-51(4,5)6/h9,12-13,17-18,26,28,30,33-35,39,52H,7-8,10-11,14-16,19-25,27H2,1-6H3,(H6-,43,44,45,46,47,48,49,50,53,54,55,56,57)/p+1/t28-,33-,34-,35-,39-/m0/s1