bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride

C85H138Cl4N18O18 — CID 159983878

IUPACbis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride
SMILESCCCC(C)C(=O)[C@H](O)CCC(=O)N[C@H](C)c1ccccc1.CCCC(C)C(O)C(=O)NCC(=O)O.CCCC(C)C(O)[C@H](O)CCC(=O)N[C@H](C)c1ccccc1.CCCC(N)C(O)[C@H](O)CCC(=O)N[C@H](C)c1ccccc1.CCCC(N)C(O)[C@H](O)CCC(=O)N[C@H](C)c1ccccc1.Cl.Cl.OOn1nnc2ccccc21.[H]/N=N/N=NCl.[H]/N=N/N=NCl
InChIInChI=1S/C18H29NO3.C18H27NO3.2C17H28N2O3.C9H17NO4.C6H5N3O2.2ClHN4.2ClH/c2*1-4-8-13(2)18(22)16(20)11-12-17(21)19-14(3)15-9-6-5-7-10-15;2*1-3-7-14(18)17(22)15(20)10-11-16(21)19-12(2)13-8-5-4-6-9-13;1-3-4-6(2)8(13)9(14)10-5-7(11)12;10-11-9-6-4-2-1-3-5(6)7-8-9;2*1-3-5-4-2;;/h5-7,9-10,13-14,16,18,20,22H,4,8,11-12H2,1-3H3,(H,19,21);5-7,9-10,13-14,16,20H,4,8,11-12H2,1-3H3,(H,19,21);2*4-6,8-9,12,14-15,17,20,22H,3,7,10-11,18H2,1-2H3,(H,19,21);6,8,13H,3-5H2,1-2H3,(H,10,14)(H,11,12);1-4,10H;2*2H;2*1H/b;;;;;;2*4-2+,5-3?;;/t13?,14-,16-,18?;13?,14-,16-;2*12-,14?,15-,17?;;;;;;/m1111....../s1
InChIKeyAXYXWDWWOGATLB-VIRSEJMBSA-N
MW1841.96 g/mol
LogP13.04
Rot. Bonds45

About bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride

bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride (PubChem CID 159983878) has the molecular formula C85H138Cl4N18O18 and a molecular weight of 1841.96 g/mol. Its IUPAC name is bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride.

Molecular Properties

Compound Namebis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride
PubChem CID159983878
Molecular FormulaC85H138Cl4N18O18
Molecular Weight1841.96 g/mol
Exact Mass1838.92
IUPAC Namebis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride
SMILESCCCC(C)C(=O)[C@H](O)CCC(=O)N[C@H](C)c1ccccc1.CCCC(C)C(O)C(=O)NCC(=O)O.CCCC(C)C(O)[C@H](O)CCC(=O)N[C@H](C)c1ccccc1.CCCC(N)C(O)[C@H](O)CCC(=O)N[C@H](C)c1ccccc1.CCCC(N)C(O)[C@H](O)CCC(=O)N[C@H](C)c1ccccc1.Cl.Cl.OOn1nnc2ccccc21.[H]/N=N/N=NCl.[H]/N=N/N=NCl
InChIInChI=1S/C18H29NO3.C18H27NO3.2C17H28N2O3.C9H17NO4.C6H5N3O2.2ClHN4.2ClH/c2*1-4-8-13(2)18(22)16(20)11-12-17(21)19-14(3)15-9-6-5-7-10-15;2*1-3-7-14(18)17(22)15(20)10-11-16(21)19-12(2)13-8-5-4-6-9-13;1-3-4-6(2)8(13)9(14)10-5-7(11)12;10-11-9-6-4-2-1-3-5(6)7-8-9;2*1-3-5-4-2;;/h5-7,9-10,13-14,16,18,20,22H,4,8,11-12H2,1-3H3,(H,19,21);5-7,9-10,13-14,16,20H,4,8,11-12H2,1-3H3,(H,19,21);2*4-6,8-9,12,14-15,17,20,22H,3,7,10-11,18H2,1-2H3,(H,19,21);6,8,13H,3-5H2,1-2H3,(H,10,14)(H,11,12);1-4,10H;2*2H;2*1H/b;;;;;;2*4-2+,5-3?;;/t13?,14-,16-,18?;13?,14-,16-;2*12-,14?,15-,17?;;;;;;/m1111....../s1
InChIKeyAXYXWDWWOGATLB-VIRSEJMBSA-N
XLogP13.04
TPSA595.78 Ų
H-Bond Donors19
H-Bond Acceptors26
Rotatable Bonds45
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001841.96
LogP ≤ 513.04
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride with MolForge

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Related Compounds

bis(2-[[(1S)-3-amino-1-hydroxy-2-oxohexyl]amino]-N-[(1R)-1-phenylethyl]acetamide);tert-butyl N-[(1S)-1,2-dihydroxy-1-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]hexan-3-yl]carbamate;tert-butyl N-[(1S)-1-hydroxy-2-oxo-1-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]hexan-3-yl]carbamate;1-hydroperoxybenzotriazole;2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetic acid;dihydrochloride
CID 161120111
3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide
CID 91486659
chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide
CID 123853536
3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride
CID 159999863
(2S)-2-amino-N-methyl-2-phenylacetamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;methane;hydrochloride
CID 159106601
(4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide
CID 58263305
1-hydroperoxybenzotriazole;N-[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
CID 91149969
(2S)-2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[4-oxo-3-[2-oxo-2-[[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethyl]-1,2,3-benzotriazin-5-yl]sulfanyl]propan-2-yl]amino]-5-oxopentanoic acid
CID 168848797
3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide
CID 59979466
2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 51189619
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide
CID 7668592

Frequently Asked Questions

What is the IUPAC name of bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride?
The IUPAC name of bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride (CID 159983878) is bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride.
What is the SMILES notation for bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride?
The canonical SMILES for bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride is CCCC(C)C(=O)[C@H](O)CCC(=O)N[C@H](C)c1ccccc1.CCCC(C)C(O)C(=O)NCC(=O)O.CCCC(C)C(O)[C@H](O)CCC(=O)N[C@H](C)c1ccccc1.CCCC(N)C(O)[C@H](O)CCC(=O)N[C@H](C)c1ccccc1.CCCC(N)C(O)[C@H](O)CCC(=O)N[C@H](C)c1ccccc1.Cl.Cl.OOn1nnc2ccccc21.[H]/N=N/N=NCl.[H]/N=N/N=NCl.
What is the InChIKey of bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride?
The InChIKey is AXYXWDWWOGATLB-VIRSEJMBSA-N. The full InChI is InChI=1S/C18H29NO3.C18H27NO3.2C17H28N2O3.C9H17NO4.C6H5N3O2.2ClHN4.2ClH/c2*1-4-8-13(2)18(22)16(20)11-12-17(21)19-14(3)15-9-6-5-7-10-15;2*1-3-7-14(18)17(22)15(20)10-11-16(21)19-12(2)13-8-5-4-6-9-13;1-3-4-6(2)8(13)9(14)10-5-7(11)12;10-11-9-6-4-2-1-3-5(6)7-8-9;2*1-3-5-4-2;;/h5-7,9-10,13-14,16,18,20,22H,4,8,11-12H2,1-3H3,(H,19,21);5-7,9-10,13-14,16,20H,4,8,11-12H2,1-3H3,(H,19,21);2*4-6,8-9,12,14-15,17,20,22H,3,7,10-11,18H2,1-2H3,(H,19,21);6,8,13H,3-5H2,1-2H3,(H,10,14)(H,11,12);1-4,10H;2*2H;2*1H/b;;;;;;2*4-2+,5-3?;;/t13?,14-,16-,18?;13?,14-,16-;2*12-,14?,15-,17?;;;;;;/m1111....../s1.
What are the key properties of bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride?
bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride has a molecular weight of 1841.96 g/mol, XLogP of 13.04, 45 rotatable bonds, 19 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride is sourced from PubChem (CID 159983878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).