N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(6-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;6-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-(6-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 167697304

IUPACN-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(6-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;6-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-(6-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)c1cc2ccc(Cl)cc2[nH]1.Cl.Cl.NC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2ccc(Cl)cc2[nH]1.O=C(O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C29H36ClN3O5.C28H35ClN4O4.C25H40N2O6.C20H32N2O4.C15H25NO4.C10H17NO3.C9H6ClNO2.2ClH/c1-38-28(37)23(14-19-7-3-4-8-25(19)34)32-26(35)24-16-29(11-5-2-6-12-29)17-33(24)27(36)22-13-18-9-10-20(30)15-21(18)31-22;29-19-9-8-17-12-22(31-20(17)14-19)27(37)33-16-28(10-4-1-5-11-28)15-23(33)26(36)32-21(25(30)35)13-18-6-2-3-7-24(18)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;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6;;/h9-10,13,15,19,23-24,31H,2-8,11-12,14,16-17H2,1H3,(H,32,35);8-9,12,14,18,21,23,31H,1-7,10-11,13,15-16H2,(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/t19-,23-,24?;18-,21-,23?;17-,18-,19?;14-,15-,16?;;7-,8-;;;/m0000.0.../s1
InChIKeyAYNIMERDRRSICC-IQSZCQPKSA-N
MW2649.37 g/mol
LogP21.79
Rot. Bonds27

About N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(6-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;6-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-(6-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-(6-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;6-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-(6-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 167697304) 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-(6-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;6-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-(6-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-(6-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;6-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-(6-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 CID167697304
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-(6-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;6-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-(6-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)c1cc2ccc(Cl)cc2[nH]1.Cl.Cl.NC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2ccc(Cl)cc2[nH]1.O=C(O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C29H36ClN3O5.C28H35ClN4O4.C25H40N2O6.C20H32N2O4.C15H25NO4.C10H17NO3.C9H6ClNO2.2ClH/c1-38-28(37)23(14-19-7-3-4-8-25(19)34)32-26(35)24-16-29(11-5-2-6-12-29)17-33(24)27(36)22-13-18-9-10-20(30)15-21(18)31-22;29-19-9-8-17-12-22(31-20(17)14-19)27(37)33-16-28(10-4-1-5-11-28)15-23(33)26(36)32-21(25(30)35)13-18-6-2-3-7-24(18)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;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6;;/h9-10,13,15,19,23-24,31H,2-8,11-12,14,16-17H2,1H3,(H,32,35);8-9,12,14,18,21,23,31H,1-7,10-11,13,15-16H2,(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/t19-,23-,24?;18-,21-,23?;17-,18-,19?;14-,15-,16?;;7-,8-;;;/m0000.0.../s1
InChIKeyAYNIMERDRRSICC-IQSZCQPKSA-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-(6-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;6-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-(6-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
N-(3-aminocyclohexyl)-N-ethyl-1H-indole-2-carboxamide;tert-butyl N-[3-(ethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate;tert-butyl N-(3-oxocyclohexyl)carbamate;ethanamine;N-ethyl-N-[(3R)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide;N-ethyl-N-[(3S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide;3-fluorobenzaldehyde;1H-indole-2-carboxylic acid
CID 157999441
tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-(4,6-dichloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;4,6-dichloro-1H-indole-2-carboxylic acid
CID 158865372
3-[benzoyl(methyl)amino]-6-chloro-1H-indole-2-carboxylic acid;3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid;3-(carboxymethyl)-6-chloro-1H-indole-2-carboxylic acid;3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid;6-chloro-3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid;4,6-dichloro-1H-indole-2-carboxylic acid
CID 159725518
tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxylic acid
CID 160107326
tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(4S)-5-[[3-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-4-methylpentyl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide);3-(4-fluorophenyl)-1H-indole-2-carboxylic acid;hydrochloride
CID 160445794

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(6-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;6-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-(6-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-(6-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;6-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-(6-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 167697304) is N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(6-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;6-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-(6-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-(6-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;6-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-(6-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-(6-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;6-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-(6-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)c1cc2ccc(Cl)cc2[nH]1.Cl.Cl.NC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2ccc(Cl)cc2[nH]1.O=C(O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(6-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;6-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-(6-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 AYNIMERDRRSICC-IQSZCQPKSA-N. The full InChI is InChI=1S/C29H36ClN3O5.C28H35ClN4O4.C25H40N2O6.C20H32N2O4.C15H25NO4.C10H17NO3.C9H6ClNO2.2ClH/c1-38-28(37)23(14-19-7-3-4-8-25(19)34)32-26(35)24-16-29(11-5-2-6-12-29)17-33(24)27(36)22-13-18-9-10-20(30)15-21(18)31-22;29-19-9-8-17-12-22(31-20(17)14-19)27(37)33-16-28(10-4-1-5-11-28)15-23(33)26(36)32-21(25(30)35)13-18-6-2-3-7-24(18)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;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6;;/h9-10,13,15,19,23-24,31H,2-8,11-12,14,16-17H2,1H3,(H,32,35);8-9,12,14,18,21,23,31H,1-7,10-11,13,15-16H2,(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/t19-,23-,24?;18-,21-,23?;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-(6-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;6-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-(6-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-(6-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;6-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-(6-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-(6-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;6-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-(6-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 167697304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).