[(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine

C96H87N21O16 — CID 172966811

IUPAC[(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)c2ccc([N+](=O)[O-])cc2)cc1.Cc1ccc(/C(=N/OC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=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/C82H75N19O13.C14H12N2O3/c1-46-17-19-48(20-18-46)72(49-21-24-56(25-22-49)101(111)112)93-114-81(109)70-38-55(44-100(70)8)88-79(107)69-37-54(43-99(69)7)87-78(106)68-36-53(42-98(68)6)86-77(105)66-31-47(39-95(66)3)32-71(102)63(92-82(110)113-45-61-59-15-11-9-13-57(59)58-14-10-12-16-60(58)61)27-28-84-76(104)67-35-52(41-97(67)5)85-75(103)50-23-26-62-64(33-50)91-73(90-62)65-34-51(40-96(65)4)89-80(108)74-83-29-30-94(74)2;1-10-2-4-11(5-3-10)14(15-17)12-6-8-13(9-7-12)16(18)19/h9-26,29-31,33-44,61,63H,27-28,32,45H2,1-8H3,(H,84,104)(H,85,103)(H,86,105)(H,87,106)(H,88,107)(H,89,108)(H,90,91)(H,92,110);2-9,17H,1H3/b93-72-;15-14-/t63-;/m1./s1
InChIKeyJYZDMSMIEUWKST-DZEIFXBLSA-N
MW1790.88 g/mol
LogP14.05
Rot. Bonds29

About [(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine

[(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine (PubChem CID 172966811) has the molecular formula C96H87N21O16 and a molecular weight of 1790.88 g/mol. Its IUPAC name is [(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name[(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine
PubChem CID172966811
Molecular FormulaC96H87N21O16
Molecular Weight1790.88 g/mol
Exact Mass1789.66
IUPAC Name[(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)c2ccc([N+](=O)[O-])cc2)cc1.Cc1ccc(/C(=N/OC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=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/C82H75N19O13.C14H12N2O3/c1-46-17-19-48(20-18-46)72(49-21-24-56(25-22-49)101(111)112)93-114-81(109)70-38-55(44-100(70)8)88-79(107)69-37-54(43-99(69)7)87-78(106)68-36-53(42-98(68)6)86-77(105)66-31-47(39-95(66)3)32-71(102)63(92-82(110)113-45-61-59-15-11-9-13-57(59)58-14-10-12-16-60(58)61)27-28-84-76(104)67-35-52(41-97(67)5)85-75(103)50-23-26-62-64(33-50)91-73(90-62)65-34-51(40-96(65)4)89-80(108)74-83-29-30-94(74)2;1-10-2-4-11(5-3-10)14(15-17)12-6-8-13(9-7-12)16(18)19/h9-26,29-31,33-44,61,63H,27-28,32,45H2,1-8H3,(H,84,104)(H,85,103)(H,86,105)(H,87,106)(H,88,107)(H,89,108)(H,90,91)(H,92,110);2-9,17H,1H3/b93-72-;15-14-/t63-;/m1./s1
InChIKeyJYZDMSMIEUWKST-DZEIFXBLSA-N
XLogP14.05
TPSA463.61 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds29
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001790.88
LogP ≤ 514.05
H-Bond Donors ≤ 59
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-[[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;(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
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
3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide
CID 161336915
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-[[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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine?
The IUPAC name of [(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine (CID 172966811) is [(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine.
What is the SMILES notation for [(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine?
The canonical SMILES for [(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;(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(NC(=O)c3cc(NC(=O)c4cc(NC(=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-[[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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine?
The InChIKey is JYZDMSMIEUWKST-DZEIFXBLSA-N. The full InChI is InChI=1S/C82H75N19O13.C14H12N2O3/c1-46-17-19-48(20-18-46)72(49-21-24-56(25-22-49)101(111)112)93-114-81(109)70-38-55(44-100(70)8)88-79(107)69-37-54(43-99(69)7)87-78(106)68-36-53(42-98(68)6)86-77(105)66-31-47(39-95(66)3)32-71(102)63(92-82(110)113-45-61-59-15-11-9-13-57(59)58-14-10-12-16-60(58)61)27-28-84-76(104)67-35-52(41-97(67)5)85-75(103)50-23-26-62-64(33-50)91-73(90-62)65-34-51(40-96(65)4)89-80(108)74-83-29-30-94(74)2;1-10-2-4-11(5-3-10)14(15-17)12-6-8-13(9-7-12)16(18)19/h9-26,29-31,33-44,61,63H,27-28,32,45H2,1-8H3,(H,84,104)(H,85,103)(H,86,105)(H,87,106)(H,88,107)(H,89,108)(H,90,91)(H,92,110);2-9,17H,1H3/b93-72-;15-14-/t63-;/m1./s1.
What are the key properties of [(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine?
[(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine has a molecular weight of 1790.88 g/mol, XLogP of 14.05, 29 rotatable bonds, 9 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-[[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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 172966811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).