[(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine

C99H90N18O16 — CID 172951300

IUPAC[(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)c2ccc([N+](=O)[O-])cc2)cc1.Cc1ccc(/C(=N/OC(=O)c2cc(CC(=O)c3cc(CC(=O)c4cc(CC(=O)c5cc(CC(=O)[C@@H](CCNC(=O)c6cc(NC(=O)c7ccc8nc(-c9cc(NC(=O)c%10nccn%10C)cn9C)[nH]c8c7)cn6C)NC(=O)OCC6c7ccccc7-c7ccccc76)cn5C)cn4C)cn3C)cn2C)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C85H78N16O13.C14H12N2O3/c1-49-17-19-54(20-18-49)78(55-21-24-59(25-22-55)101(111)112)93-114-84(109)73-34-53(45-98(73)6)38-77(105)70-33-52(44-97(70)5)37-76(104)69-32-51(43-96(69)4)36-75(103)68-31-50(42-95(68)3)35-74(102)66(92-85(110)113-48-64-62-15-11-9-13-60(62)61-14-10-12-16-63(61)64)27-28-87-82(107)72-41-58(47-100(72)8)88-81(106)56-23-26-65-67(39-56)91-79(90-65)71-40-57(46-99(71)7)89-83(108)80-86-29-30-94(80)2;1-10-2-4-11(5-3-10)14(15-17)12-6-8-13(9-7-12)16(18)19/h9-26,29-34,39-47,64,66H,27-28,35-38,48H2,1-8H3,(H,87,107)(H,88,106)(H,89,108)(H,90,91)(H,92,110);2-9,17H,1H3/b93-78-;15-14-/t66-;/m1./s1
InChIKeySQYQBEZPSIPQSH-HFMAHJITSA-N
MW1787.92 g/mol
LogP14.57
Rot. Bonds32

About [(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine

[(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine (PubChem CID 172951300) has the molecular formula C99H90N18O16 and a molecular weight of 1787.92 g/mol. Its IUPAC name is [(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name[(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine
PubChem CID172951300
Molecular FormulaC99H90N18O16
Molecular Weight1787.92 g/mol
Exact Mass1786.68
IUPAC Name[(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)c2ccc([N+](=O)[O-])cc2)cc1.Cc1ccc(/C(=N/OC(=O)c2cc(CC(=O)c3cc(CC(=O)c4cc(CC(=O)c5cc(CC(=O)[C@@H](CCNC(=O)c6cc(NC(=O)c7ccc8nc(-c9cc(NC(=O)c%10nccn%10C)cn9C)[nH]c8c7)cn6C)NC(=O)OCC6c7ccccc7-c7ccccc76)cn5C)cn4C)cn3C)cn2C)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C85H78N16O13.C14H12N2O3/c1-49-17-19-54(20-18-49)78(55-21-24-59(25-22-55)101(111)112)93-114-84(109)73-34-53(45-98(73)6)38-77(105)70-33-52(44-97(70)5)37-76(104)69-32-51(43-96(69)4)36-75(103)68-31-50(42-95(68)3)35-74(102)66(92-85(110)113-48-64-62-15-11-9-13-60(62)61-14-10-12-16-63(61)64)27-28-87-82(107)72-41-58(47-100(72)8)88-81(106)56-23-26-65-67(39-56)91-79(90-65)71-40-57(46-99(71)7)89-83(108)80-86-29-30-94(80)2;1-10-2-4-11(5-3-10)14(15-17)12-6-8-13(9-7-12)16(18)19/h9-26,29-34,39-47,64,66H,27-28,35-38,48H2,1-8H3,(H,87,107)(H,88,106)(H,89,108)(H,90,91)(H,92,110);2-9,17H,1H3/b93-78-;15-14-/t66-;/m1./s1
InChIKeySQYQBEZPSIPQSH-HFMAHJITSA-N
XLogP14.57
TPSA427.52 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds32
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001787.92
LogP ≤ 514.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine with MolForge

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Related Compounds

[(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[[4-[[4-[[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 59986214
[5-[2-[1-[3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[[1-[3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]methylcarbamoyl]phenyl]phenyl]methyl N-[1-[2-[6-[6-[[[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 90979328
[(E)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[[4-[[4-[[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 91003668
methyl N-[1-[2-[6-[5-[2-[1-[2-[[6-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-2-[1-[[2-(methoxycarbonylamino)-3-methylbutanoyl]amino]ethyl]-3H-benzimidazol-5-yl]methoxycarbonylamino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrazin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 91013429
4-aminobenzoic acid;2-[4-[6-[2-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-1-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethanone;4-nitrobenzene-1,2-diamine;4-(6-nitro-1H-benzimidazol-2-yl)aniline
CID 157052176
acetyl acetate;[1-[3-[(1-methylimidazol-2-yl)methoxymethyl]phenyl]benzimidazol-5-yl]methanamine;[1-[3-[(1-methylimidazol-2-yl)methoxymethyl]phenyl]benzimidazol-5-yl]methanol;N-[[1-[3-[(1-methylimidazol-2-yl)methoxymethyl]phenyl]benzimidazol-5-yl]methyl]acetamide;2-[[1-[3-[(1-methylimidazol-2-yl)methoxymethyl]phenyl]benzimidazol-5-yl]methyl]indene-1,3-dione
CID 157335969
9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;2-(3,6-dinitrocarbazol-9-yl)-N,N-diethylethanamine;11-(2-hydroxyethyl)-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate
CID 157852457
acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid
CID 158818204
benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;bis(4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid);2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylpyrrol-2-yl)ethanone
CID 159500125
benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone
CID 159981744
CID 167557814
CID 167557814
5-(1H-benzimidazol-2-yl)-N-tert-butyl-1-methylpyrrol-3-amine;tris(tert-butyl acetate);4-[4-(tert-butylamino)phenyl]-1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboxamide;4-[4-(tert-butylamino)phenyl]-1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]pyrrole-2-carboxamide;4-[4-(tert-butylamino)phenyl]-1-methyl-N-[(2S)-2-[(2-methylpropan-2-yl)oxy]propyl]pyrrole-2-carboxamide;4-[4-(tert-butylamino)phenyl]-1-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]propyl]pyrrole-2-carboxamide;4-[4-(tert-butylamino)phenyl]-1-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrole-2-carboxamide;3-(tert-butylamino)propyl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;N-tert-butyl-5-(1H-indol-2-yl)-1-methylpyrrol-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]-1H-indole
CID 167589044

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine?
The IUPAC name of [(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine (CID 172951300) is [(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine.
What is the SMILES notation for [(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine?
The canonical SMILES for [(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine is Cc1ccc(/C(=N/O)c2ccc([N+](=O)[O-])cc2)cc1.Cc1ccc(/C(=N/OC(=O)c2cc(CC(=O)c3cc(CC(=O)c4cc(CC(=O)c5cc(CC(=O)[C@@H](CCNC(=O)c6cc(NC(=O)c7ccc8nc(-c9cc(NC(=O)c%10nccn%10C)cn9C)[nH]c8c7)cn6C)NC(=O)OCC6c7ccccc7-c7ccccc76)cn5C)cn4C)cn3C)cn2C)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of [(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine?
The InChIKey is SQYQBEZPSIPQSH-HFMAHJITSA-N. The full InChI is InChI=1S/C85H78N16O13.C14H12N2O3/c1-49-17-19-54(20-18-49)78(55-21-24-59(25-22-55)101(111)112)93-114-84(109)73-34-53(45-98(73)6)38-77(105)70-33-52(44-97(70)5)37-76(104)69-32-51(43-96(69)4)36-75(103)68-31-50(42-95(68)3)35-74(102)66(92-85(110)113-48-64-62-15-11-9-13-60(62)61-14-10-12-16-63(61)64)27-28-87-82(107)72-41-58(47-100(72)8)88-81(106)56-23-26-65-67(39-56)91-79(90-65)71-40-57(46-99(71)7)89-83(108)80-86-29-30-94(80)2;1-10-2-4-11(5-3-10)14(15-17)12-6-8-13(9-7-12)16(18)19/h9-26,29-34,39-47,64,66H,27-28,35-38,48H2,1-8H3,(H,87,107)(H,88,106)(H,89,108)(H,90,91)(H,92,110);2-9,17H,1H3/b93-78-;15-14-/t66-;/m1./s1.
What are the key properties of [(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine?
[(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine has a molecular weight of 1787.92 g/mol, XLogP of 14.57, 32 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 172951300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).