(2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide

C158H166F6N30O34 — CID 159702417

IUPAC(2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide
SMILESCN1Cc2ccc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc(CN)cc4)C3=O)cc2C1=O.CN1Cc2ccc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc5c(c4)CCNC5)C3=O)cc2C1=O.Cc1cc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(c3)CNC4=O)C2=O)cc(C(F)(F)F)c1.[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cc(C)cc(C(F)(F)F)c3)C2=O)cc1.[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)C(=O)N(C)C4)C2=O)cc1.[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)C(=O)N(CC)C4)C2=O)cc1.[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)C(=O)N(CCC)C4)C2=O)cc1
InChIInChI=1S/C24H27N5O5.C24H26N4O5.C23H25N5O5.C22H20F3N3O5.C22H23N5O5.C22H24N4O5.C21H21F3N4O4/c1-2-9-28-13-15-5-8-17(12-18(15)23(28)32)29-10-11-34-20(24(29)33)19(30)22(31)27-16-6-3-14(4-7-16)21(25)26;1-27-13-16-3-5-18(11-19(16)23(27)31)28-8-9-33-21(24(28)32)20(29)22(30)26-17-4-2-15-12-25-7-6-14(15)10-17;1-2-27-12-14-5-8-16(11-17(14)22(27)31)28-9-10-33-19(23(28)32)18(29)21(30)26-15-6-3-13(4-7-15)20(24)25;1-11-6-13(22(23,24)25)9-15(7-11)28-4-5-33-18(21(28)32)17(29)20(31)27-14-2-3-16-12(8-14)10-26-19(16)30;1-26-11-13-4-7-15(10-16(13)21(26)30)27-8-9-32-18(22(27)31)17(28)20(29)25-14-5-2-12(3-6-14)19(23)24;1-25-12-14-4-7-16(10-17(14)21(25)29)26-8-9-31-19(22(26)30)18(27)20(28)24-15-5-2-13(11-23)3-6-15;1-11-8-13(21(22,23)24)10-15(9-11)28-6-7-32-17(20(28)31)16(29)19(30)27-14-4-2-12(3-5-14)18(25)26/h3-8,12,19-20,30H,2,9-11,13H2,1H3,(H3,25,26)(H,27,31);2-5,10-11,20-21,25,29H,6-9,12-13H2,1H3,(H,26,30);3-8,11,18-19,29H,2,9-10,12H2,1H3,(H3,24,25)(H,26,30);2-3,6-9,17-18,29H,4-5,10H2,1H3,(H,26,30)(H,27,31);2-7,10,17-18,28H,8-9,11H2,1H3,(H3,23,24)(H,25,29);2-7,10,18-19,27H,8-9,11-12,23H2,1H3,(H,24,28);2-5,8-10,16-17,29H,6-7H2,1H3,(H3,25,26)(H,27,30)/t19-,20-;20-,21-;18-,19-;2*17-,18-;18-,19-;16-,17-/m1111111/s1
InChIKeyMXUFNJLJBMOGEQ-LABRZEBTSA-N
MW3143.23 g/mol
LogP7.16
Rot. Bonds36

About (2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide

(2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide (PubChem CID 159702417) has the molecular formula C158H166F6N30O34 and a molecular weight of 3143.23 g/mol. Its IUPAC name is (2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide
PubChem CID159702417
Molecular FormulaC158H166F6N30O34
Molecular Weight3143.23 g/mol
Exact Mass3141.21
IUPAC Name(2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide
SMILESCN1Cc2ccc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc(CN)cc4)C3=O)cc2C1=O.CN1Cc2ccc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc5c(c4)CCNC5)C3=O)cc2C1=O.Cc1cc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(c3)CNC4=O)C2=O)cc(C(F)(F)F)c1.[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cc(C)cc(C(F)(F)F)c3)C2=O)cc1.[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)C(=O)N(C)C4)C2=O)cc1.[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)C(=O)N(CC)C4)C2=O)cc1.[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)C(=O)N(CCC)C4)C2=O)cc1
InChIInChI=1S/C24H27N5O5.C24H26N4O5.C23H25N5O5.C22H20F3N3O5.C22H23N5O5.C22H24N4O5.C21H21F3N4O4/c1-2-9-28-13-15-5-8-17(12-18(15)23(28)32)29-10-11-34-20(24(29)33)19(30)22(31)27-16-6-3-14(4-7-16)21(25)26;1-27-13-16-3-5-18(11-19(16)23(27)31)28-8-9-33-21(24(28)32)20(29)22(30)26-17-4-2-15-12-25-7-6-14(15)10-17;1-2-27-12-14-5-8-16(11-17(14)22(27)31)28-9-10-33-19(23(28)32)18(29)21(30)26-15-6-3-13(4-7-15)20(24)25;1-11-6-13(22(23,24)25)9-15(7-11)28-4-5-33-18(21(28)32)17(29)20(31)27-14-2-3-16-12(8-14)10-26-19(16)30;1-26-11-13-4-7-15(10-16(13)21(26)30)27-8-9-32-18(22(27)31)17(28)20(29)25-14-5-2-12(3-6-14)19(23)24;1-25-12-14-4-7-16(10-17(14)21(25)29)26-8-9-31-19(22(26)30)18(27)20(28)24-15-5-2-13(11-23)3-6-15;1-11-8-13(21(22,23)24)10-15(9-11)28-6-7-32-17(20(28)31)16(29)19(30)27-14-4-2-12(3-5-14)18(25)26/h3-8,12,19-20,30H,2,9-11,13H2,1H3,(H3,25,26)(H,27,31);2-5,10-11,20-21,25,29H,6-9,12-13H2,1H3,(H,26,30);3-8,11,18-19,29H,2,9-10,12H2,1H3,(H3,24,25)(H,26,30);2-3,6-9,17-18,29H,4-5,10H2,1H3,(H,26,30)(H,27,31);2-7,10,17-18,28H,8-9,11H2,1H3,(H3,23,24)(H,25,29);2-7,10,18-19,27H,8-9,11-12,23H2,1H3,(H,24,28);2-5,8-10,16-17,29H,6-7H2,1H3,(H3,25,26)(H,27,30)/t19-,20-;20-,21-;18-,19-;2*17-,18-;18-,19-;16-,17-/m1111111/s1
InChIKeyMXUFNJLJBMOGEQ-LABRZEBTSA-N
XLogP7.16
TPSA920.27 Ų
H-Bond Donors25
H-Bond Acceptors40
Rotatable Bonds36
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003143.23
LogP ≤ 57.16
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide?
The IUPAC name of (2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide (CID 159702417) is (2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide.
What is the SMILES notation for (2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide?
The canonical SMILES for (2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide is CN1Cc2ccc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc(CN)cc4)C3=O)cc2C1=O.CN1Cc2ccc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc5c(c4)CCNC5)C3=O)cc2C1=O.Cc1cc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(c3)CNC4=O)C2=O)cc(C(F)(F)F)c1.[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cc(C)cc(C(F)(F)F)c3)C2=O)cc1.[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)C(=O)N(C)C4)C2=O)cc1.[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)C(=O)N(CC)C4)C2=O)cc1.[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)C(=O)N(CCC)C4)C2=O)cc1.
What is the InChIKey of (2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide?
The InChIKey is MXUFNJLJBMOGEQ-LABRZEBTSA-N. The full InChI is InChI=1S/C24H27N5O5.C24H26N4O5.C23H25N5O5.C22H20F3N3O5.C22H23N5O5.C22H24N4O5.C21H21F3N4O4/c1-2-9-28-13-15-5-8-17(12-18(15)23(28)32)29-10-11-34-20(24(29)33)19(30)22(31)27-16-6-3-14(4-7-16)21(25)26;1-27-13-16-3-5-18(11-19(16)23(27)31)28-8-9-33-21(24(28)32)20(29)22(30)26-17-4-2-15-12-25-7-6-14(15)10-17;1-2-27-12-14-5-8-16(11-17(14)22(27)31)28-9-10-33-19(23(28)32)18(29)21(30)26-15-6-3-13(4-7-15)20(24)25;1-11-6-13(22(23,24)25)9-15(7-11)28-4-5-33-18(21(28)32)17(29)20(31)27-14-2-3-16-12(8-14)10-26-19(16)30;1-26-11-13-4-7-15(10-16(13)21(26)30)27-8-9-32-18(22(27)31)17(28)20(29)25-14-5-2-12(3-6-14)19(23)24;1-25-12-14-4-7-16(10-17(14)21(25)29)26-8-9-31-19(22(26)30)18(27)20(28)24-15-5-2-13(11-23)3-6-15;1-11-8-13(21(22,23)24)10-15(9-11)28-6-7-32-17(20(28)31)16(29)19(30)27-14-4-2-12(3-5-14)18(25)26/h3-8,12,19-20,30H,2,9-11,13H2,1H3,(H3,25,26)(H,27,31);2-5,10-11,20-21,25,29H,6-9,12-13H2,1H3,(H,26,30);3-8,11,18-19,29H,2,9-10,12H2,1H3,(H3,24,25)(H,26,30);2-3,6-9,17-18,29H,4-5,10H2,1H3,(H,26,30)(H,27,31);2-7,10,17-18,28H,8-9,11H2,1H3,(H3,23,24)(H,25,29);2-7,10,18-19,27H,8-9,11-12,23H2,1H3,(H,24,28);2-5,8-10,16-17,29H,6-7H2,1H3,(H3,25,26)(H,27,30)/t19-,20-;20-,21-;18-,19-;2*17-,18-;18-,19-;16-,17-/m1111111/s1.
What are the key properties of (2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide?
(2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide has a molecular weight of 3143.23 g/mol, XLogP of 7.16, 36 rotatable bonds, 25 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide is sourced from PubChem (CID 159702417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).