lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide

C128H184Cl2LiN15O33 — CID 157323388

IUPAClithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide
SMILESCCOC(=O)C1CC2(CCOCC2)CN1.CCOC(=O)C1CC2(CCOCC2)CN1C(=O)[C@@H](NC(=O)OC)C(C)C.COC(=O)N[C@H](C(=O)C1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C(=O)CCC(=O)C4CC5(CCOCC5)CN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)C1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C(=O)CN)cc3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC2(CCOCC2)CC1C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.ClCCl.[Li+].[OH-]
InChIInChI=1S/C46H59N5O9.C29H34N4O4.C18H30N2O6.C16H26N2O6.C11H19NO3.C7H13NO4.CH2Cl2.Li.H2O/c1-27(2)39(49-44(56)58-5)41(54)33-8-7-9-34(33)42-47-25-35(48-42)31-14-10-29(11-15-31)30-12-16-32(17-13-30)37(52)18-19-38(53)36-24-46(20-22-60-23-21-46)26-51(36)43(55)40(28(3)4)50-45(57)59-6;1-17(2)26(33-29(36)37-3)27(35)22-5-4-6-23(22)28-31-16-24(32-28)20-11-7-18(8-12-20)19-9-13-21(14-10-19)25(34)15-30;1-5-26-16(22)13-10-18(6-8-25-9-7-18)11-20(13)15(21)14(12(2)3)19-17(23)24-4;1-10(2)12(17-15(22)23-3)13(19)18-9-16(4-6-24-7-5-16)8-11(18)14(20)21;1-2-15-10(13)9-7-11(8-12-9)3-5-14-6-4-11;1-4(2)5(6(9)10)8-7(11)12-3;2-1-3;;/h10-17,25,27-28,33-34,36,39-40H,7-9,18-24,26H2,1-6H3,(H,47,48)(H,49,56)(H,50,57);7-14,16-17,22-23,26H,4-6,15,30H2,1-3H3,(H,31,32)(H,33,36);12-14H,5-11H2,1-4H3,(H,19,23);10-12H,4-9H2,1-3H3,(H,17,22)(H,20,21);9,12H,2-8H2,1H3;4-5H,1-3H3,(H,8,11)(H,9,10);1H2;;1H2/q;;;;;;;+1;/p-1/t33?,34-,36?,39+,40+;22?,23-,26+;13?,14-;11?,12-;;5-;;;/m1100.0.../s1
InChIKeyBEKYFCZCFCPNHS-GZBLQTOCSA-M
MW2538.80 g/mol
LogP13.19
Rot. Bonds38

About lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide

lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide (PubChem CID 157323388) has the molecular formula C128H184Cl2LiN15O33 and a molecular weight of 2538.80 g/mol. Its IUPAC name is lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide.

Molecular Properties

Compound Namelithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide
PubChem CID157323388
Molecular FormulaC128H184Cl2LiN15O33
Molecular Weight2538.80 g/mol
Exact Mass2536.27
IUPAC Namelithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide
SMILESCCOC(=O)C1CC2(CCOCC2)CN1.CCOC(=O)C1CC2(CCOCC2)CN1C(=O)[C@@H](NC(=O)OC)C(C)C.COC(=O)N[C@H](C(=O)C1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C(=O)CCC(=O)C4CC5(CCOCC5)CN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)C1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C(=O)CN)cc3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC2(CCOCC2)CC1C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.ClCCl.[Li+].[OH-]
InChIInChI=1S/C46H59N5O9.C29H34N4O4.C18H30N2O6.C16H26N2O6.C11H19NO3.C7H13NO4.CH2Cl2.Li.H2O/c1-27(2)39(49-44(56)58-5)41(54)33-8-7-9-34(33)42-47-25-35(48-42)31-14-10-29(11-15-31)30-12-16-32(17-13-30)37(52)18-19-38(53)36-24-46(20-22-60-23-21-46)26-51(36)43(55)40(28(3)4)50-45(57)59-6;1-17(2)26(33-29(36)37-3)27(35)22-5-4-6-23(22)28-31-16-24(32-28)20-11-7-18(8-12-20)19-9-13-21(14-10-19)25(34)15-30;1-5-26-16(22)13-10-18(6-8-25-9-7-18)11-20(13)15(21)14(12(2)3)19-17(23)24-4;1-10(2)12(17-15(22)23-3)13(19)18-9-16(4-6-24-7-5-16)8-11(18)14(20)21;1-2-15-10(13)9-7-11(8-12-9)3-5-14-6-4-11;1-4(2)5(6(9)10)8-7(11)12-3;2-1-3;;/h10-17,25,27-28,33-34,36,39-40H,7-9,18-24,26H2,1-6H3,(H,47,48)(H,49,56)(H,50,57);7-14,16-17,22-23,26H,4-6,15,30H2,1-3H3,(H,31,32)(H,33,36);12-14H,5-11H2,1-4H3,(H,19,23);10-12H,4-9H2,1-3H3,(H,17,22)(H,20,21);9,12H,2-8H2,1H3;4-5H,1-3H3,(H,8,11)(H,9,10);1H2;;1H2/q;;;;;;;+1;/p-1/t33?,34-,36?,39+,40+;22?,23-,26+;13?,14-;11?,12-;;5-;;;/m1100.0.../s1
InChIKeyBEKYFCZCFCPNHS-GZBLQTOCSA-M
XLogP13.19
TPSA665.79 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds38
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002538.80
LogP ≤ 513.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide?
The IUPAC name of lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide (CID 157323388) is lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide.
What is the SMILES notation for lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide?
The canonical SMILES for lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide is CCOC(=O)C1CC2(CCOCC2)CN1.CCOC(=O)C1CC2(CCOCC2)CN1C(=O)[C@@H](NC(=O)OC)C(C)C.COC(=O)N[C@H](C(=O)C1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C(=O)CCC(=O)C4CC5(CCOCC5)CN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)C1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C(=O)CN)cc3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC2(CCOCC2)CC1C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.ClCCl.[Li+].[OH-].
What is the InChIKey of lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide?
The InChIKey is BEKYFCZCFCPNHS-GZBLQTOCSA-M. The full InChI is InChI=1S/C46H59N5O9.C29H34N4O4.C18H30N2O6.C16H26N2O6.C11H19NO3.C7H13NO4.CH2Cl2.Li.H2O/c1-27(2)39(49-44(56)58-5)41(54)33-8-7-9-34(33)42-47-25-35(48-42)31-14-10-29(11-15-31)30-12-16-32(17-13-30)37(52)18-19-38(53)36-24-46(20-22-60-23-21-46)26-51(36)43(55)40(28(3)4)50-45(57)59-6;1-17(2)26(33-29(36)37-3)27(35)22-5-4-6-23(22)28-31-16-24(32-28)20-11-7-18(8-12-20)19-9-13-21(14-10-19)25(34)15-30;1-5-26-16(22)13-10-18(6-8-25-9-7-18)11-20(13)15(21)14(12(2)3)19-17(23)24-4;1-10(2)12(17-15(22)23-3)13(19)18-9-16(4-6-24-7-5-16)8-11(18)14(20)21;1-2-15-10(13)9-7-11(8-12-9)3-5-14-6-4-11;1-4(2)5(6(9)10)8-7(11)12-3;2-1-3;;/h10-17,25,27-28,33-34,36,39-40H,7-9,18-24,26H2,1-6H3,(H,47,48)(H,49,56)(H,50,57);7-14,16-17,22-23,26H,4-6,15,30H2,1-3H3,(H,31,32)(H,33,36);12-14H,5-11H2,1-4H3,(H,19,23);10-12H,4-9H2,1-3H3,(H,17,22)(H,20,21);9,12H,2-8H2,1H3;4-5H,1-3H3,(H,8,11)(H,9,10);1H2;;1H2/q;;;;;;;+1;/p-1/t33?,34-,36?,39+,40+;22?,23-,26+;13?,14-;11?,12-;;5-;;;/m1100.0.../s1.
What are the key properties of lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide?
lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide has a molecular weight of 2538.80 g/mol, XLogP of 13.19, 38 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dichloromethane;ethyl 2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8-oxa-2-azaspiro[4.5]decane-3-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid;methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[3-[4-[4-[4-[2-[(1R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-4-oxobutanoyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydroxide is sourced from PubChem (CID 157323388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).