(2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate

C133H157F6N13O10 — CID 159801510

IUPAC(2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate
SMILESCc1cc2occ(CN(C)CC(C(C)C)N(C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C.Cc1cc2occ(CN(C)CC(COC(C)C)N(C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C.[H]/N=C(\N)N1CCC[C@H](CC(=O)C[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)NCCC(C)C)C1.[H]/N=C(\N)N1CCC[C@H](CC(=O)C[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)OCCC(C)C)C1
InChIInChI=1S/C36H40F3N3O3.C35H38F3N3O2.C31H40N4O2.C31H39N3O3/c1-23(2)44-22-30(20-40(5)17-27-21-45-34-15-25(4)24(3)14-32(34)35(27)43)41(6)18-26-19-42(33-13-8-7-12-31(26)33)29-11-9-10-28(16-29)36(37,38)39;1-22(2)32(20-39(5)17-26-21-43-33-15-24(4)23(3)14-30(33)34(26)42)40(6)18-25-19-41(31-13-8-7-12-29(25)31)28-11-9-10-27(16-28)35(36,37)38;1-23(2)16-17-34-30(37)28(21-29(36)20-27-9-6-18-35(22-27)31(32)33)19-26-14-12-25(13-15-26)11-10-24-7-4-3-5-8-24;1-23(2)16-18-37-30(36)28(21-29(35)20-27-9-6-17-34(22-27)31(32)33)19-26-14-12-25(13-15-26)11-10-24-7-4-3-5-8-24/h7-16,19,21,23,30H,17-18,20,22H2,1-6H3;7-16,19,21-22,32H,17-18,20H2,1-6H3;3-5,7-8,12-15,23,27-28H,6,9,16-22H2,1-2H3,(H3,32,33)(H,34,37);3-5,7-8,12-15,23,27-28H,6,9,16-22H2,1-2H3,(H3,32,33)/t;;2*27-,28-/m..11/s1
InChIKeyNJVUMGJUJPZCPJ-QLXQWGNLSA-N
MW2211.79 g/mol
LogP24.84
Rot. Bonds40

About (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate

(2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate (PubChem CID 159801510) has the molecular formula C133H157F6N13O10 and a molecular weight of 2211.79 g/mol. Its IUPAC name is (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate.

Molecular Properties

Compound Name(2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate
PubChem CID159801510
Molecular FormulaC133H157F6N13O10
Molecular Weight2211.79 g/mol
Exact Mass2210.21
IUPAC Name(2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate
SMILESCc1cc2occ(CN(C)CC(C(C)C)N(C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C.Cc1cc2occ(CN(C)CC(COC(C)C)N(C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C.[H]/N=C(\N)N1CCC[C@H](CC(=O)C[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)NCCC(C)C)C1.[H]/N=C(\N)N1CCC[C@H](CC(=O)C[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)OCCC(C)C)C1
InChIInChI=1S/C36H40F3N3O3.C35H38F3N3O2.C31H40N4O2.C31H39N3O3/c1-23(2)44-22-30(20-40(5)17-27-21-45-34-15-25(4)24(3)14-32(34)35(27)43)41(6)18-26-19-42(33-13-8-7-12-31(26)33)29-11-9-10-28(16-29)36(37,38)39;1-22(2)32(20-39(5)17-26-21-43-33-15-24(4)23(3)14-30(33)34(26)42)40(6)18-25-19-41(31-13-8-7-12-29(25)31)28-11-9-10-27(16-28)35(36,37)38;1-23(2)16-17-34-30(37)28(21-29(36)20-27-9-6-18-35(22-27)31(32)33)19-26-14-12-25(13-15-26)11-10-24-7-4-3-5-8-24;1-23(2)16-18-37-30(36)28(21-29(35)20-27-9-6-17-34(22-27)31(32)33)19-26-14-12-25(13-15-26)11-10-24-7-4-3-5-8-24/h7-16,19,21,23,30H,17-18,20,22H2,1-6H3;7-16,19,21-22,32H,17-18,20H2,1-6H3;3-5,7-8,12-15,23,27-28H,6,9,16-22H2,1-2H3,(H3,32,33)(H,34,37);3-5,7-8,12-15,23,27-28H,6,9,16-22H2,1-2H3,(H3,32,33)/t;;2*27-,28-/m..11/s1
InChIKeyNJVUMGJUJPZCPJ-QLXQWGNLSA-N
XLogP24.84
TPSA288.23 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds40
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002211.79
LogP ≤ 524.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate with MolForge

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Related Compounds

(2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]-N-propan-2-ylpentanamide;3-[[[2-[[1-[3-(1,1-difluoroethyl)phenyl]indol-3-yl]methyl-methylamino]-3-propan-2-yloxypropyl]-methylamino]methyl]-6,7-dimethylchromen-4-one;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate
CID 157591531
(2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate
CID 158078501
(2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;3-[[[2-[[1-[3-(1,1-difluoroethyl)phenyl]indol-3-yl]methyl-methylamino]-3-propan-2-yloxypropyl]-methylamino]methyl]-6,7-dimethylchromen-4-one;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate
CID 158310449
4-[2-[4-[[4-[3-[1-(2,4-dioxocyclohexyl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]piperidin-1-yl]methyl]cyclohexyl]ethynyl]-1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 158609990
4-[2-[4-[[2-[(2R)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]morpholin-4-yl]ethyl-methylamino]methyl]cyclohexyl]ethynyl]-1-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 161403432
4-[2-[4-[[2-[(2R)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]morpholin-4-yl]ethyl-methylamino]methyl]cyclohexyl]ethynyl]-1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 161403433
4-[2-[4-[[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]phenyl]methyl-methylamino]methyl]cyclohexyl]ethynyl]-1-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 161502588
N'-[3-[(6,7-dimethyl-4-oxochromen-3-yl)methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]ethyl]amino]propyl]butanediamide
CID 164884069
4-[2-[4-[[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]phenyl]methyl-methylamino]methyl]cyclohexyl]ethynyl]-1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 165383531
4-[2-[4-[[3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]phenyl]propyl-methylamino]methyl]cyclohexyl]ethynyl]-1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 166733769
tert-butyl 4-[(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[(6R)-2,2-difluoro-6-[4-methoxycarbonyl-2-(2-methoxyethylamino)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;methyl 3-(2-methoxyethylamino)benzoate
CID 176939704
[2-[2-[(6-Carbamimidoyl-1-ethylindol-3-yl)methyl]-5-(pyridin-2-ylmethylcarbamoyl)phenoxy]-5-methylbenzoyl] 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]phenyl]-4-methylbenzoate
CID 87790652

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate?
The IUPAC name of (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate (CID 159801510) is (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate.
What is the SMILES notation for (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate?
The canonical SMILES for (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate is Cc1cc2occ(CN(C)CC(C(C)C)N(C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C.Cc1cc2occ(CN(C)CC(COC(C)C)N(C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C.[H]/N=C(\N)N1CCC[C@H](CC(=O)C[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)NCCC(C)C)C1.[H]/N=C(\N)N1CCC[C@H](CC(=O)C[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)OCCC(C)C)C1.
What is the InChIKey of (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate?
The InChIKey is NJVUMGJUJPZCPJ-QLXQWGNLSA-N. The full InChI is InChI=1S/C36H40F3N3O3.C35H38F3N3O2.C31H40N4O2.C31H39N3O3/c1-23(2)44-22-30(20-40(5)17-27-21-45-34-15-25(4)24(3)14-32(34)35(27)43)41(6)18-26-19-42(33-13-8-7-12-31(26)33)29-11-9-10-28(16-29)36(37,38)39;1-22(2)32(20-39(5)17-26-21-43-33-15-24(4)23(3)14-30(33)34(26)42)40(6)18-25-19-41(31-13-8-7-12-29(25)31)28-11-9-10-27(16-28)35(36,37)38;1-23(2)16-17-34-30(37)28(21-29(36)20-27-9-6-18-35(22-27)31(32)33)19-26-14-12-25(13-15-26)11-10-24-7-4-3-5-8-24;1-23(2)16-18-37-30(36)28(21-29(35)20-27-9-6-17-34(22-27)31(32)33)19-26-14-12-25(13-15-26)11-10-24-7-4-3-5-8-24/h7-16,19,21,23,30H,17-18,20,22H2,1-6H3;7-16,19,21-22,32H,17-18,20H2,1-6H3;3-5,7-8,12-15,23,27-28H,6,9,16-22H2,1-2H3,(H3,32,33)(H,34,37);3-5,7-8,12-15,23,27-28H,6,9,16-22H2,1-2H3,(H3,32,33)/t;;2*27-,28-/m..11/s1.
What are the key properties of (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate?
(2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate has a molecular weight of 2211.79 g/mol, XLogP of 24.84, 40 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate is sourced from PubChem (CID 159801510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).