acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid

C136H148Br2N10O27 — CID 161287107

IUPACacetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid
SMILESC.CC(=O)O.N.O=C(CBr)c1ccc(-c2ccc(C(=O)CBr)cc2)cc1.O=C(COC(=O)[C@@H]1CC2(CCOCC2)CN1C(=O)OCc1ccccc1)c1ccc(-c2ccc(C(=O)COC(=O)[C@@H]3CC4(CCOCC4)CN3C(=O)OCc3ccccc3)cc2)cc1.O=C(O)[C@@H]1CC2(CCOCC2)CN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CC2(CCOCC2)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CC6(CCOCC6)CN5C(=O)OCc5ccccc5)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C50H52N6O6.C50H52N2O12.C17H21NO5.C16H12Br2O2.C2H4O2.CH4.H3N/c57-47(61-31-35-7-3-1-4-8-35)55-33-49(19-23-59-24-20-49)27-43(55)45-51-29-41(53-45)39-15-11-37(12-16-39)38-13-17-40(18-14-38)42-30-52-46(54-42)44-28-50(21-25-60-26-22-50)34-56(44)48(58)62-32-36-9-5-2-6-10-36;53-43(31-61-45(55)41-27-49(19-23-59-24-20-49)33-51(41)47(57)63-29-35-7-3-1-4-8-35)39-15-11-37(12-16-39)38-13-17-40(18-14-38)44(54)32-62-46(56)42-28-50(21-25-60-26-22-50)34-52(42)48(58)64-30-36-9-5-2-6-10-36;19-15(20)14-10-17(6-8-22-9-7-17)12-18(14)16(21)23-11-13-4-2-1-3-5-13;17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18;1-2(3)4;;/h1-18,29-30,43-44H,19-28,31-34H2,(H,51,53)(H,52,54);1-18,41-42H,19-34H2;1-5,14H,6-12H2,(H,19,20);1-8H,9-10H2;1H3,(H,3,4);1H4;1H3/t43-,44-;41-,42-;14-;;;;/m000..../s1
InChIKeyITPLTMYPUAINLF-OEQGGUJGSA-N
MW2514.53 g/mol
LogP24.79
Rot. Bonds30

About acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid

acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 161287107) has the molecular formula C136H148Br2N10O27 and a molecular weight of 2514.53 g/mol. Its IUPAC name is acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Nameacetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID161287107
Molecular FormulaC136H148Br2N10O27
Molecular Weight2514.53 g/mol
Exact Mass2510.89
IUPAC Nameacetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid
SMILESC.CC(=O)O.N.O=C(CBr)c1ccc(-c2ccc(C(=O)CBr)cc2)cc1.O=C(COC(=O)[C@@H]1CC2(CCOCC2)CN1C(=O)OCc1ccccc1)c1ccc(-c2ccc(C(=O)COC(=O)[C@@H]3CC4(CCOCC4)CN3C(=O)OCc3ccccc3)cc2)cc1.O=C(O)[C@@H]1CC2(CCOCC2)CN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CC2(CCOCC2)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CC6(CCOCC6)CN5C(=O)OCc5ccccc5)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C50H52N6O6.C50H52N2O12.C17H21NO5.C16H12Br2O2.C2H4O2.CH4.H3N/c57-47(61-31-35-7-3-1-4-8-35)55-33-49(19-23-59-24-20-49)27-43(55)45-51-29-41(53-45)39-15-11-37(12-16-39)38-13-17-40(18-14-38)42-30-52-46(54-42)44-28-50(21-25-60-26-22-50)34-56(44)48(58)62-32-36-9-5-2-6-10-36;53-43(31-61-45(55)41-27-49(19-23-59-24-20-49)33-51(41)47(57)63-29-35-7-3-1-4-8-35)39-15-11-37(12-16-39)38-13-17-40(18-14-38)44(54)32-62-46(56)42-28-50(21-25-60-26-22-50)34-52(42)48(58)64-30-36-9-5-2-6-10-36;19-15(20)14-10-17(6-8-22-9-7-17)12-18(14)16(21)23-11-13-4-2-1-3-5-13;17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18;1-2(3)4;;/h1-18,29-30,43-44H,19-28,31-34H2,(H,51,53)(H,52,54);1-18,41-42H,19-34H2;1-5,14H,6-12H2,(H,19,20);1-8H,9-10H2;1H3,(H,3,4);1H4;1H3/t43-,44-;41-,42-;14-;;;;/m000..../s1
InChIKeyITPLTMYPUAINLF-OEQGGUJGSA-N
XLogP24.79
TPSA481.69 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002514.53
LogP ≤ 524.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

benzyl (2S)-4,4-dimethyl-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 123311534
6-[5-[4-[6-[2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylic acid
CID 151845750
(3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 155904367
tert-butyl 6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 66620372
benzyl (2S)-2-[5-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67681665
4,4-difluoro-2-[5-[4-[6-[2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129094825
benzyl N-[(2S)-1-[(6S)-6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130320725
benzyl 8-[[2-[4-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-oxoethyl]carbamoyl]-1,4-dithia-7-azaspiro[4.4]nonane-7-carboxylate
CID 76757082
benzyl (8S)-8-[[2-[4-[4-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-oxoethyl]carbamoyl]-1,4-dithia-7-azaspiro[4.4]nonane-7-carboxylate
CID 58313074
tert-butyl (3S,5R)-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 122450843
benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 155796420
5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;tributyl(1-ethoxyethenyl)stannane
CID 162123485

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid (CID 161287107) is acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid is C.CC(=O)O.N.O=C(CBr)c1ccc(-c2ccc(C(=O)CBr)cc2)cc1.O=C(COC(=O)[C@@H]1CC2(CCOCC2)CN1C(=O)OCc1ccccc1)c1ccc(-c2ccc(C(=O)COC(=O)[C@@H]3CC4(CCOCC4)CN3C(=O)OCc3ccccc3)cc2)cc1.O=C(O)[C@@H]1CC2(CCOCC2)CN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CC2(CCOCC2)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CC6(CCOCC6)CN5C(=O)OCc5ccccc5)[nH]4)cc3)cc2)[nH]1.
What is the InChIKey of acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is ITPLTMYPUAINLF-OEQGGUJGSA-N. The full InChI is InChI=1S/C50H52N6O6.C50H52N2O12.C17H21NO5.C16H12Br2O2.C2H4O2.CH4.H3N/c57-47(61-31-35-7-3-1-4-8-35)55-33-49(19-23-59-24-20-49)27-43(55)45-51-29-41(53-45)39-15-11-37(12-16-39)38-13-17-40(18-14-38)42-30-52-46(54-42)44-28-50(21-25-60-26-22-50)34-56(44)48(58)62-32-36-9-5-2-6-10-36;53-43(31-61-45(55)41-27-49(19-23-59-24-20-49)33-51(41)47(57)63-29-35-7-3-1-4-8-35)39-15-11-37(12-16-39)38-13-17-40(18-14-38)44(54)32-62-46(56)42-28-50(21-25-60-26-22-50)34-52(42)48(58)64-30-36-9-5-2-6-10-36;19-15(20)14-10-17(6-8-22-9-7-17)12-18(14)16(21)23-11-13-4-2-1-3-5-13;17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18;1-2(3)4;;/h1-18,29-30,43-44H,19-28,31-34H2,(H,51,53)(H,52,54);1-18,41-42H,19-34H2;1-5,14H,6-12H2,(H,19,20);1-8H,9-10H2;1H3,(H,3,4);1H4;1H3/t43-,44-;41-,42-;14-;;;;/m000..../s1.
What are the key properties of acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid?
acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 2514.53 g/mol, XLogP of 24.79, 30 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;2-O-benzyl 3-O-[2-oxo-2-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]ethyl] (3S)-8-oxa-2-azaspiro[4.5]decane-2,3-dicarboxylate;benzyl (3S)-3-[5-[4-[4-[2-[(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxylate;2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;methane;(3S)-2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 161287107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).