N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride

C136H193Cl5N14O28 — CID 167602371

IUPACN-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride
SMILESCC(C)(C)OC(=O)N1CC2(CCCCC2)CC1C(=O)O.COC(=O)[C@@H](N)C[C@@H]1CCCCC1=O.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)OC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.Cl.Cl.NC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.O=C(O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C29H36ClN3O5.C28H35ClN4O4.C25H40N2O6.C20H32N2O4.C15H25NO4.C10H17NO3.C9H6ClNO2.2ClH/c1-38-28(37)22(14-18-8-3-4-11-24(18)34)32-26(35)23-16-29(12-5-2-6-13-29)17-33(23)27(36)21-15-19-9-7-10-20(30)25(19)31-21;29-19-9-6-8-18-14-21(31-24(18)19)27(37)33-16-28(11-4-1-5-12-28)15-22(33)26(36)32-20(25(30)35)13-17-7-2-3-10-23(17)34;1-24(2,3)33-23(31)27-16-25(12-8-5-9-13-25)15-19(27)21(29)26-18(22(30)32-4)14-17-10-6-7-11-20(17)28;1-26-19(25)15(11-14-7-3-4-8-17(14)23)22-18(24)16-12-20(13-21-16)9-5-2-6-10-20;1-14(2,3)20-13(19)16-10-15(7-5-4-6-8-15)9-11(16)12(17)18;1-14-10(13)8(11)6-7-4-2-3-5-9(7)12;10-6-3-1-2-5-4-7(9(12)13)11-8(5)6;;/h7,9-10,15,18,22-23,31H,2-6,8,11-14,16-17H2,1H3,(H,32,35);6,8-9,14,17,20,22,31H,1-5,7,10-13,15-16H2,(H2,30,35)(H,32,36);17-19H,5-16H2,1-4H3,(H,26,29);14-16,21H,2-13H2,1H3,(H,22,24);11H,4-10H2,1-3H3,(H,17,18);7-8H,2-6,11H2,1H3;1-4,11H,(H,12,13);2*1H/t18-,22-,23?;17-,20-,22?;17-,18-,19?;14-,15-,16?;;7-,8-;;;/m0000.0.../s1
InChIKeyRQPFBONUCAIOLX-ZDWXUSDYSA-N
MW2649.37 g/mol
LogP21.79
Rot. Bonds27

About N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride

N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride (PubChem CID 167602371) has the molecular formula C136H193Cl5N14O28 and a molecular weight of 2649.37 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride
PubChem CID167602371
Molecular FormulaC136H193Cl5N14O28
Molecular Weight2649.37 g/mol
Exact Mass2645.26
IUPAC NameN-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride
SMILESCC(C)(C)OC(=O)N1CC2(CCCCC2)CC1C(=O)O.COC(=O)[C@@H](N)C[C@@H]1CCCCC1=O.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)OC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.Cl.Cl.NC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.O=C(O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C29H36ClN3O5.C28H35ClN4O4.C25H40N2O6.C20H32N2O4.C15H25NO4.C10H17NO3.C9H6ClNO2.2ClH/c1-38-28(37)22(14-18-8-3-4-11-24(18)34)32-26(35)23-16-29(12-5-2-6-13-29)17-33(23)27(36)21-15-19-9-7-10-20(30)25(19)31-21;29-19-9-6-8-18-14-21(31-24(18)19)27(37)33-16-28(11-4-1-5-12-28)15-22(33)26(36)32-20(25(30)35)13-17-7-2-3-10-23(17)34;1-24(2,3)33-23(31)27-16-25(12-8-5-9-13-25)15-19(27)21(29)26-18(22(30)32-4)14-17-10-6-7-11-20(17)28;1-26-19(25)15(11-14-7-3-4-8-17(14)23)22-18(24)16-12-20(13-21-16)9-5-2-6-10-20;1-14(2,3)20-13(19)16-10-15(7-5-4-6-8-15)9-11(16)12(17)18;1-14-10(13)8(11)6-7-4-2-3-5-9(7)12;10-6-3-1-2-5-4-7(9(12)13)11-8(5)6;;/h7,9-10,15,18,22-23,31H,2-6,8,11-14,16-17H2,1H3,(H,32,35);6,8-9,14,17,20,22,31H,1-5,7,10-13,15-16H2,(H2,30,35)(H,32,36);17-19H,5-16H2,1-4H3,(H,26,29);14-16,21H,2-13H2,1H3,(H,22,24);11H,4-10H2,1-3H3,(H,17,18);7-8H,2-6,11H2,1H3;1-4,11H,(H,12,13);2*1H/t18-,22-,23?;17-,20-,22?;17-,18-,19?;14-,15-,16?;;7-,8-;;;/m0000.0.../s1
InChIKeyRQPFBONUCAIOLX-ZDWXUSDYSA-N
XLogP21.79
TPSA609.76 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002649.37
LogP ≤ 521.79
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride with MolForge

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone;tert-butyl 2-[(3S)-1-(5-chloro-1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;5-chloro-1H-indole-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 157800003
[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone;tert-butyl 2-[(3S,4S)-1-(5-chloro-6,7-difluoro-1H-indole-2-carbonyl)-4-fluoropyrrolidin-3-yl]acetate;tert-butyl N-[(3S,4R)-4-fluoropyrrolidin-3-yl]carbamate;5-chloro-6,7-difluoro-1H-indole-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 159695179
tert-butyl 2,2-difluoro-7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;7-chloro-1H-indole-2-carboxylic acid;2,2-difluoro-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-7-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[6-(7-chloro-1H-indole-2-carbonyl)-2,2-difluoro-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[(2,2-difluoro-6-azaspiro[3.4]octane-7-carbonyl)amino]-3-[(1S)-2-oxocyclohexyl]propanoate
CID 163489136
lithium;N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;hydrate
CID 164050879
lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate
CID 167606811
5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate
CID 157170983
(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-1H-indole-2-carboxylic acid;(2R)-4-(7-chloro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-(7-chloro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
CID 157617254
azane;tert-butyl N-[(3S)-4-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-3-methylbutyl]carbamate;[(3S)-3-chloro-4-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]butyl]azanium;N-[(2S)-2,4-dichlorobutyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;methane;(2S)-2-methylpentan-1-amine;chloride
CID 157840341
(2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylethanone;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-[2-(dimethylamino)ethyl]-1H-indole-6-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-[2-(dimethylamino)ethyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2-methoxyethyl)-1H-indole-6-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2-methoxyethyl)-1H-indole-6-carboxamide;3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid
CID 158526585
3-[3-aminooxy-3-(4-methylphenyl)propyl]-5-methyl-N-(4-methylphenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;3-(2-carboxyethyl)-5-chloro-1H-indole-2-carboxylic acid;3-(2-carboxyethyl)-5-methyl-1H-indole-2-carboxylic acid;ethyl 3-(5-chloro-2-methyl-1H-indol-3-yl)propanoate;ethyl 3-(2,5-dimethyl-1H-indol-3-yl)propanoate
CID 158801632
3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-[2-(dimethylamino)ethyl]-1H-indole-6-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-[2-(dimethylamino)ethyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-6-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2-methoxyethyl)-1H-indole-6-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2-methoxyethyl)-1H-indole-6-carboxamide;3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid
CID 159101151
azane;tert-butyl (3S)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;tert-butyl N-[(4R)-5-[[5-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-4-methylpentyl]carbamate;bis([(4R)-4-chloro-5-[[5-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]pentyl]azanium);5-(4-fluorophenyl)-1H-indole-2-carboxylic acid;methane;dichloride
CID 159505360

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride (CID 167602371) is N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride is CC(C)(C)OC(=O)N1CC2(CCCCC2)CC1C(=O)O.COC(=O)[C@@H](N)C[C@@H]1CCCCC1=O.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)OC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.Cl.Cl.NC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.O=C(O)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride?
The InChIKey is RQPFBONUCAIOLX-ZDWXUSDYSA-N. The full InChI is InChI=1S/C29H36ClN3O5.C28H35ClN4O4.C25H40N2O6.C20H32N2O4.C15H25NO4.C10H17NO3.C9H6ClNO2.2ClH/c1-38-28(37)22(14-18-8-3-4-11-24(18)34)32-26(35)23-16-29(12-5-2-6-13-29)17-33(23)27(36)21-15-19-9-7-10-20(30)25(19)31-21;29-19-9-6-8-18-14-21(31-24(18)19)27(37)33-16-28(11-4-1-5-12-28)15-22(33)26(36)32-20(25(30)35)13-17-7-2-3-10-23(17)34;1-24(2,3)33-23(31)27-16-25(12-8-5-9-13-25)15-19(27)21(29)26-18(22(30)32-4)14-17-10-6-7-11-20(17)28;1-26-19(25)15(11-14-7-3-4-8-17(14)23)22-18(24)16-12-20(13-21-16)9-5-2-6-10-20;1-14(2,3)20-13(19)16-10-15(7-5-4-6-8-15)9-11(16)12(17)18;1-14-10(13)8(11)6-7-4-2-3-5-9(7)12;10-6-3-1-2-5-4-7(9(12)13)11-8(5)6;;/h7,9-10,15,18,22-23,31H,2-6,8,11-14,16-17H2,1H3,(H,32,35);6,8-9,14,17,20,22,31H,1-5,7,10-13,15-16H2,(H2,30,35)(H,32,36);17-19H,5-16H2,1-4H3,(H,26,29);14-16,21H,2-13H2,1H3,(H,22,24);11H,4-10H2,1-3H3,(H,17,18);7-8H,2-6,11H2,1H3;1-4,11H,(H,12,13);2*1H/t18-,22-,23?;17-,20-,22?;17-,18-,19?;14-,15-,16?;;7-,8-;;;/m0000.0.../s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride?
N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride has a molecular weight of 2649.37 g/mol, XLogP of 21.79, 27 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;tert-butyl 3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-(2-azaspiro[4.5]decane-3-carbonylamino)-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 167602371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).