benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C133H142N9O28P — CID 163579290

IUPACbenzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2cc(O)ccc12)C(=O)O.COP(=O)(OC)C(C)C(=O)OCc1ccccc1.Cc1ccc2c(/C=C(\NC(=O)OC(C)(C)C)C(=O)OCc3ccccc3)cn(C(=O)OCc3ccccc3)c2c1.Cc1ccc2c(C=O)c[nH]c2c1.Cc1ccc2c(C=O)cn(C(=O)OCc3ccccc3)c2c1.Cc1ccc2c(C[C@H](C)C(=O)OCc3ccccc3)cn(C(=O)OCc3ccccc3)c2c1.Cc1ccc2c(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c[nH]c2c1
InChIInChI=1S/C32H32N2O6.C28H27NO4.C18H15NO3.C17H22N2O4.C16H20N2O5.C12H17O5P.C10H9NO/c1-22-15-16-26-25(19-34(28(26)17-22)31(37)39-21-24-13-9-6-10-14-24)18-27(33-30(36)40-32(2,3)4)29(35)38-20-23-11-7-5-8-12-23;1-20-13-14-25-24(16-21(2)27(30)32-18-22-9-5-3-6-10-22)17-29(26(25)15-20)28(31)33-19-23-11-7-4-8-12-23;1-13-7-8-16-15(11-20)10-19(17(16)9-13)18(21)22-12-14-5-3-2-4-6-14;1-10-5-6-12-11(9-18-13(12)7-10)8-14(15(20)21)19-16(22)23-17(2,3)4;1-16(2,3)23-15(22)18-13(14(20)21)6-9-8-17-12-7-10(19)4-5-11(9)12;1-10(18(14,15-2)16-3)12(13)17-9-11-7-5-4-6-8-11;1-7-2-3-9-8(6-12)5-11-10(9)4-7/h5-19H,20-21H2,1-4H3,(H,33,36);3-15,17,21H,16,18-19H2,1-2H3;2-11H,12H2,1H3;5-7,9,14,18H,8H2,1-4H3,(H,19,22)(H,20,21);4-5,7-8,13,17,19H,6H2,1-3H3,(H,18,22)(H,20,21);4-8,10H,9H2,1-3H3;2-6,11H,1H3/b27-18-;;;;;;/t;21-;;14-;13-;;/m.0.00../s1
InChIKeyGGDRVXKGDCNSCJ-CETAAKLYSA-N
MW2345.61 g/mol
LogP27.03
Rot. Bonds32

About benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 163579290) has the molecular formula C133H142N9O28P and a molecular weight of 2345.61 g/mol. Its IUPAC name is benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Namebenzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID163579290
Molecular FormulaC133H142N9O28P
Molecular Weight2345.61 g/mol
Exact Mass2343.97
IUPAC Namebenzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2cc(O)ccc12)C(=O)O.COP(=O)(OC)C(C)C(=O)OCc1ccccc1.Cc1ccc2c(/C=C(\NC(=O)OC(C)(C)C)C(=O)OCc3ccccc3)cn(C(=O)OCc3ccccc3)c2c1.Cc1ccc2c(C=O)c[nH]c2c1.Cc1ccc2c(C=O)cn(C(=O)OCc3ccccc3)c2c1.Cc1ccc2c(C[C@H](C)C(=O)OCc3ccccc3)cn(C(=O)OCc3ccccc3)c2c1.Cc1ccc2c(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c[nH]c2c1
InChIInChI=1S/C32H32N2O6.C28H27NO4.C18H15NO3.C17H22N2O4.C16H20N2O5.C12H17O5P.C10H9NO/c1-22-15-16-26-25(19-34(28(26)17-22)31(37)39-21-24-13-9-6-10-14-24)18-27(33-30(36)40-32(2,3)4)29(35)38-20-23-11-7-5-8-12-23;1-20-13-14-25-24(16-21(2)27(30)32-18-22-9-5-3-6-10-22)17-29(26(25)15-20)28(31)33-19-23-11-7-4-8-12-23;1-13-7-8-16-15(11-20)10-19(17(16)9-13)18(21)22-12-14-5-3-2-4-6-14;1-10-5-6-12-11(9-18-13(12)7-10)8-14(15(20)21)19-16(22)23-17(2,3)4;1-16(2,3)23-15(22)18-13(14(20)21)6-9-8-17-12-7-10(19)4-5-11(9)12;1-10(18(14,15-2)16-3)12(13)17-9-11-7-5-4-6-8-11;1-7-2-3-9-8(6-12)5-11-10(9)4-7/h5-19H,20-21H2,1-4H3,(H,33,36);3-15,17,21H,16,18-19H2,1-2H3;2-11H,12H2,1H3;5-7,9,14,18H,8H2,1-4H3,(H,19,22)(H,20,21);4-5,7-8,13,17,19H,6H2,1-3H3,(H,18,22)(H,20,21);4-8,10H,9H2,1-3H3;2-6,11H,1H3/b27-18-;;;;;;/t;21-;;14-;13-;;/m.0.00../s1
InChIKeyGGDRVXKGDCNSCJ-CETAAKLYSA-N
XLogP27.03
TPSA499.45 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002345.61
LogP ≤ 527.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid with MolForge

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Related Compounds

dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;deuterium monohydride;hydride;methane;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate;2,2,2-trifluoroacetaldehyde
CID 159059748
6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde
CID 157344707
6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methyl-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methyl-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methyl-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methyl-2-propan-2-yl-1H-indole-3-carbaldehyde
CID 157979644
CID 158634182
CID 158634182
CID 159109933
CID 159109933
5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate
CID 159158854
5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy-(3-hydroxyphenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;5-[4-(2-hydroxyacetyl)phenyl]-4-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione;methyl 4-[3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate
CID 159412584
benzyl N-[(2R)-1-(4-methoxy-1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl 4-methoxy-3-[(E)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)prop-1-enyl]indole-1-carboxylate;bis(tert-butyl 4-methoxy-3-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]indole-1-carboxylate)
CID 160096134
dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;deuterium monohydride;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate
CID 160456263
2-amino-3-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indol-3-yl]propanoic acid;tert-butyl 3-formyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-2-carboxylate;tert-butyl 1H-indole-2-carboxylate;tert-butyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-2-carboxylate;tert-butyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-[(Z)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)prop-1-enyl]indole-2-carboxylate;1H-indole-2-carboxylic acid
CID 160683607
dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate
CID 160694136
bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone
CID 161262260

Frequently Asked Questions

What is the IUPAC name of benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 163579290) is benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2cc(O)ccc12)C(=O)O.COP(=O)(OC)C(C)C(=O)OCc1ccccc1.Cc1ccc2c(/C=C(\NC(=O)OC(C)(C)C)C(=O)OCc3ccccc3)cn(C(=O)OCc3ccccc3)c2c1.Cc1ccc2c(C=O)c[nH]c2c1.Cc1ccc2c(C=O)cn(C(=O)OCc3ccccc3)c2c1.Cc1ccc2c(C[C@H](C)C(=O)OCc3ccccc3)cn(C(=O)OCc3ccccc3)c2c1.Cc1ccc2c(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c[nH]c2c1.
What is the InChIKey of benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is GGDRVXKGDCNSCJ-CETAAKLYSA-N. The full InChI is InChI=1S/C32H32N2O6.C28H27NO4.C18H15NO3.C17H22N2O4.C16H20N2O5.C12H17O5P.C10H9NO/c1-22-15-16-26-25(19-34(28(26)17-22)31(37)39-21-24-13-9-6-10-14-24)18-27(33-30(36)40-32(2,3)4)29(35)38-20-23-11-7-5-8-12-23;1-20-13-14-25-24(16-21(2)27(30)32-18-22-9-5-3-6-10-22)17-29(26(25)15-20)28(31)33-19-23-11-7-4-8-12-23;1-13-7-8-16-15(11-20)10-19(17(16)9-13)18(21)22-12-14-5-3-2-4-6-14;1-10-5-6-12-11(9-18-13(12)7-10)8-14(15(20)21)19-16(22)23-17(2,3)4;1-16(2,3)23-15(22)18-13(14(20)21)6-9-8-17-12-7-10(19)4-5-11(9)12;1-10(18(14,15-2)16-3)12(13)17-9-11-7-5-4-6-8-11;1-7-2-3-9-8(6-12)5-11-10(9)4-7/h5-19H,20-21H2,1-4H3,(H,33,36);3-15,17,21H,16,18-19H2,1-2H3;2-11H,12H2,1H3;5-7,9,14,18H,8H2,1-4H3,(H,19,22)(H,20,21);4-5,7-8,13,17,19H,6H2,1-3H3,(H,18,22)(H,20,21);4-8,10H,9H2,1-3H3;2-6,11H,1H3/b27-18-;;;;;;/t;21-;;14-;13-;;/m.0.00../s1.
What are the key properties of benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 2345.61 g/mol, XLogP of 27.03, 32 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-dimethoxyphosphorylpropanoate;benzyl 3-formyl-6-methylindole-1-carboxylate;benzyl 6-methyl-3-[(2S)-2-methyl-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate;benzyl 6-methyl-3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]indole-1-carboxylate;(2S)-3-(6-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;6-methyl-1H-indole-3-carbaldehyde;(2S)-3-(6-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 163579290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).