[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate

C163H174N22O21 — CID 157340159

IUPAC[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate
SMILESCCC[C@@H](NC(=O)OCc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccc(CC)cc1.CCC[C@@H](OC(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccc(OCCN(C)C)cc1.CC[C@@H](NC(=O)OC(C)(C)c1ccc(C(=O)Nc2ccccc2N)cc1)c1ccc(C(=O)OC)cc1.CC[C@H](OC(=O)N[C@@H](c1ccccc1)c1cccnc1)c1ccc(C(=O)Nc2ccccc2N)cc1.C[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.Nc1ccccc1NC(=O)c1ccc([C@@H](OC(=O)NCc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C29H36N4O4.C29H28N4O3.C28H31N3O5.C27H24N4O3.C27H31N3O3.C23H24N4O3/c1-4-7-27(22-14-16-24(17-15-22)36-19-18-33(2)3)37-29(35)31-20-21-10-12-23(13-11-21)28(34)32-26-9-6-5-8-25(26)30;1-2-26(20-14-16-22(17-15-20)28(34)32-25-13-7-6-12-24(25)30)36-29(35)33-27(21-9-4-3-5-10-21)23-11-8-18-31-19-23;1-5-23(18-10-12-20(13-11-18)26(33)35-4)31-27(34)36-28(2,3)21-16-14-19(15-17-21)25(32)30-24-9-7-6-8-22(24)29;28-23-10-4-5-11-24(23)31-26(32)22-14-12-21(13-15-22)25(20-8-2-1-3-9-20)34-27(33)30-18-19-7-6-16-29-17-19;1-3-7-24(21-14-10-19(4-2)11-15-21)30-27(32)33-18-20-12-16-22(17-13-20)26(31)29-25-9-6-5-8-23(25)28;1-15(19-6-5-13-25-14-19)26-23(29)30-16(2)17-9-11-18(12-10-17)22(28)27-21-8-4-3-7-20(21)24/h5-6,8-17,27H,4,7,18-20,30H2,1-3H3,(H,31,35)(H,32,34);3-19,26-27H,2,30H2,1H3,(H,32,34)(H,33,35);6-17,23H,5,29H2,1-4H3,(H,30,32)(H,31,34);1-17,25H,18,28H2,(H,30,33)(H,31,32);5-6,8-17,24H,3-4,7,18,28H2,1-2H3,(H,29,31)(H,30,32);3-16H,24H2,1-2H3,(H,26,29)(H,27,28)/t27-;26-,27-;23-;25-;24-;15-,16-/m101010/s1
InChIKeyBGHNJYIOLICFOF-WACGRIAESA-N
MW2777.32 g/mol
LogP31.78
Rot. Bonds50

About [(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate

[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate (PubChem CID 157340159) has the molecular formula C163H174N22O21 and a molecular weight of 2777.32 g/mol. Its IUPAC name is [(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate.

Molecular Properties

Compound Name[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate
PubChem CID157340159
Molecular FormulaC163H174N22O21
Molecular Weight2777.32 g/mol
Exact Mass2775.32
IUPAC Name[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate
SMILESCCC[C@@H](NC(=O)OCc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccc(CC)cc1.CCC[C@@H](OC(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccc(OCCN(C)C)cc1.CC[C@@H](NC(=O)OC(C)(C)c1ccc(C(=O)Nc2ccccc2N)cc1)c1ccc(C(=O)OC)cc1.CC[C@H](OC(=O)N[C@@H](c1ccccc1)c1cccnc1)c1ccc(C(=O)Nc2ccccc2N)cc1.C[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.Nc1ccccc1NC(=O)c1ccc([C@@H](OC(=O)NCc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C29H36N4O4.C29H28N4O3.C28H31N3O5.C27H24N4O3.C27H31N3O3.C23H24N4O3/c1-4-7-27(22-14-16-24(17-15-22)36-19-18-33(2)3)37-29(35)31-20-21-10-12-23(13-11-21)28(34)32-26-9-6-5-8-25(26)30;1-2-26(20-14-16-22(17-15-20)28(34)32-25-13-7-6-12-24(25)30)36-29(35)33-27(21-9-4-3-5-10-21)23-11-8-18-31-19-23;1-5-23(18-10-12-20(13-11-18)26(33)35-4)31-27(34)36-28(2,3)21-16-14-19(15-17-21)25(32)30-24-9-7-6-8-22(24)29;28-23-10-4-5-11-24(23)31-26(32)22-14-12-21(13-15-22)25(20-8-2-1-3-9-20)34-27(33)30-18-19-7-6-16-29-17-19;1-3-7-24(21-14-10-19(4-2)11-15-21)30-27(32)33-18-20-12-16-22(17-13-20)26(31)29-25-9-6-5-8-23(25)28;1-15(19-6-5-13-25-14-19)26-23(29)30-16(2)17-9-11-18(12-10-17)22(28)27-21-8-4-3-7-20(21)24/h5-6,8-17,27H,4,7,18-20,30H2,1-3H3,(H,31,35)(H,32,34);3-19,26-27H,2,30H2,1H3,(H,32,34)(H,33,35);6-17,23H,5,29H2,1-4H3,(H,30,32)(H,31,34);1-17,25H,18,28H2,(H,30,33)(H,31,32);5-6,8-17,24H,3-4,7,18,28H2,1-2H3,(H,29,31)(H,30,32);3-16H,24H2,1-2H3,(H,26,29)(H,27,28)/t27-;26-,27-;23-;25-;24-;15-,16-/m101010/s1
InChIKeyBGHNJYIOLICFOF-WACGRIAESA-N
XLogP31.78
TPSA638.14 Ų
H-Bond Donors18
H-Bond Acceptors31
Rotatable Bonds50
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002777.32
LogP ≤ 531.78
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate with MolForge

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Related Compounds

[4-[[2-[[4-[(pyridin-3-ylmethoxycarbonylamino)methyl]benzoyl]amino]phenyl]carbamoyloxymethyl]phenyl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
CID 24894413
[4-[[2-[[4-[(pyridin-3-ylmethoxycarbonylamino)methyl]benzoyl]amino]phenyl]carbamoyloxymethyl]phenyl] N-methyl-N-[2-[methyl-(2-phenylcyclopropyl)amino]ethyl]carbamate
CID 132821246
Tert-butyl 4-[[4-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate
CID 154684340
[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[2-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxymethyl]benzoate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl]carbamate
CID 157318561
N-[5-[6-[(2R)-1-aminopropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;methyl N-[(2R)-2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxy]propyl]carbamate
CID 157568169
N-[5-[6-[(2R)-1-aminopropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;methane;methyl N-[(2R)-2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxy]propyl]carbamate
CID 157747156
[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 159047477
tert-butyl N-[(3R)-4,4-difluoro-1-[[3-(6-methyl-3-pyridinyl)-5-[[4-[4-(2-propan-2-yloxyethoxy)phenyl]pyridine-2-carbonyl]amino]phenyl]methyl]piperidin-3-yl]carbamate
CID 164543146
tert-butyl N-[(3R,4R)-4-fluoro-1-[[3-(6-methyl-3-pyridinyl)-5-[[4-[4-(2-propan-2-yloxyethoxy)phenyl]pyridine-2-carbonyl]amino]phenyl]methyl]piperidin-3-yl]carbamate
CID 164543276
tert-butyl N-[(3R)-4,4-difluoro-1-[[3-[[5-methyl-4-[4-(2-propan-2-yloxyethoxy)phenyl]pyridine-2-carbonyl]amino]-5-(6-methyl-3-pyridinyl)phenyl]methyl]piperidin-3-yl]carbamate
CID 164543640
(9S,12R,15S)-15-acetamido-N-(2,2-difluoropropyl)-11,14-dioxo-12-(2-phenylethyl)-2-oxa-10-azatricyclo[15.3.1.13,7]docosa-1(20),3,5,7(22),17(21),18-hexaene-9-carboxamide;(9S,12S,15S)-15-acetamido-N-[(4-methylphenyl)methyl]-11,14-dioxo-12-(2-phenylethyl)-2-oxa-10,13-diazatricyclo[15.3.1.13,7]docosa-1(20),3,5,7(22),17(21),18-hexaene-9-carboxamide;benzyl (9S,12S,15S)-15-[(2-methylpropan-2-yl)oxycarbonylamino]-11,14-dioxo-12-(2-phenylethyl)-2-oxa-10,13-diazatricyclo[15.3.1.13,7]docosa-1(20),3,5,7(22),17(21),18-hexaene-9-carboxylate;N-[(9S,12S,15S)-9-(4-methylpiperazine-1-carbonyl)-11,14-dioxo-12-(2-phenylethyl)-2-oxa-10,13-diazatricyclo[15.3.1.13,7]docosa-1(20),3,5,7(22),17(21),18-hexaen-15-yl]pyridine-2-carboxamide
CID 168385047
2-[4-[[1-[[5-[[4-[(2-Methylpiperidin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]oxycarbonyl]piperidin-4-yl]methoxy]phenyl]acetic acid
CID 11307920

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate?
The IUPAC name of [(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate (CID 157340159) is [(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate.
What is the SMILES notation for [(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate?
The canonical SMILES for [(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate is CCC[C@@H](NC(=O)OCc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccc(CC)cc1.CCC[C@@H](OC(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccc(OCCN(C)C)cc1.CC[C@@H](NC(=O)OC(C)(C)c1ccc(C(=O)Nc2ccccc2N)cc1)c1ccc(C(=O)OC)cc1.CC[C@H](OC(=O)N[C@@H](c1ccccc1)c1cccnc1)c1ccc(C(=O)Nc2ccccc2N)cc1.C[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.Nc1ccccc1NC(=O)c1ccc([C@@H](OC(=O)NCc2cccnc2)c2ccccc2)cc1.
What is the InChIKey of [(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate?
The InChIKey is BGHNJYIOLICFOF-WACGRIAESA-N. The full InChI is InChI=1S/C29H36N4O4.C29H28N4O3.C28H31N3O5.C27H24N4O3.C27H31N3O3.C23H24N4O3/c1-4-7-27(22-14-16-24(17-15-22)36-19-18-33(2)3)37-29(35)31-20-21-10-12-23(13-11-21)28(34)32-26-9-6-5-8-25(26)30;1-2-26(20-14-16-22(17-15-20)28(34)32-25-13-7-6-12-24(25)30)36-29(35)33-27(21-9-4-3-5-10-21)23-11-8-18-31-19-23;1-5-23(18-10-12-20(13-11-18)26(33)35-4)31-27(34)36-28(2,3)21-16-14-19(15-17-21)25(32)30-24-9-7-6-8-22(24)29;28-23-10-4-5-11-24(23)31-26(32)22-14-12-21(13-15-22)25(20-8-2-1-3-9-20)34-27(33)30-18-19-7-6-16-29-17-19;1-3-7-24(21-14-10-19(4-2)11-15-21)30-27(32)33-18-20-12-16-22(17-13-20)26(31)29-25-9-6-5-8-23(25)28;1-15(19-6-5-13-25-14-19)26-23(29)30-16(2)17-9-11-18(12-10-17)22(28)27-21-8-4-3-7-20(21)24/h5-6,8-17,27H,4,7,18-20,30H2,1-3H3,(H,31,35)(H,32,34);3-19,26-27H,2,30H2,1H3,(H,32,34)(H,33,35);6-17,23H,5,29H2,1-4H3,(H,30,32)(H,31,34);1-17,25H,18,28H2,(H,30,33)(H,31,32);5-6,8-17,24H,3-4,7,18,28H2,1-2H3,(H,29,31)(H,30,32);3-16H,24H2,1-2H3,(H,26,29)(H,27,28)/t27-;26-,27-;23-;25-;24-;15-,16-/m101010/s1.
What are the key properties of [(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate?
[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate has a molecular weight of 2777.32 g/mol, XLogP of 31.78, 50 rotatable bonds, 18 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate is sourced from PubChem (CID 157340159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).