dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide

C126H188Li2N12O35 — CID 158394895

IUPACdilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide
SMILESCC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)N1CCCC1C(=O)O.CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)O.CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)O.COC(=O)C1CCCN1.COC(=O)C1CCCN1.COC(=O)C1CCCN1C(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C.COC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C.COC(=O)C1CCCN1C(=O)C(N)Cc1ccccc1.[Li+].[Li+].[OH-].[OH-]
InChIInChI=1S/C24H36N2O6.C23H34N2O6.C20H28N2O5.C18H27NO5.C15H20N2O3.C14H19NO4.2C6H11NO2.2Li.2H2O/c1-23(2,3)31-17-12-10-16(11-13-17)15-18(25-22(29)32-24(4,5)6)20(27)26-14-8-9-19(26)21(28)30-7;1-22(2,3)30-16-11-9-15(10-12-16)14-17(24-21(29)31-23(4,5)6)19(26)25-13-7-8-18(25)20(27)28;1-20(2,3)27-19(25)21-15(13-14-9-6-5-7-10-14)17(23)22-12-8-11-16(22)18(24)26-4;1-17(2,3)23-13-9-7-12(8-10-13)11-14(15(20)21)19-16(22)24-18(4,5)6;1-20-15(19)13-8-5-9-17(13)14(18)12(16)10-11-6-3-2-4-7-11;1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;2*1-9-6(8)5-3-2-4-7-5;;;;/h10-13,18-19H,8-9,14-15H2,1-7H3,(H,25,29);9-12,17-18H,7-8,13-14H2,1-6H3,(H,24,29)(H,27,28);5-7,9-10,15-16H,8,11-13H2,1-4H3,(H,21,25);7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21);2-4,6-7,12-13H,5,8-10,16H2,1H3;4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);2*5,7H,2-4H2,1H3;;;2*1H2/q;;;;;;;;2*+1;;/p-2
InChIKeyGXKRFECMSCMGOM-UHFFFAOYSA-L
MW2444.82 g/mol
LogP8.91
Rot. Bonds32

About dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide

dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide (PubChem CID 158394895) has the molecular formula C126H188Li2N12O35 and a molecular weight of 2444.82 g/mol. Its IUPAC name is dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide.

Molecular Properties

Compound Namedilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide
PubChem CID158394895
Molecular FormulaC126H188Li2N12O35
Molecular Weight2444.82 g/mol
Exact Mass2443.36
IUPAC Namedilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide
SMILESCC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)N1CCCC1C(=O)O.CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)O.CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)O.COC(=O)C1CCCN1.COC(=O)C1CCCN1.COC(=O)C1CCCN1C(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C.COC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C.COC(=O)C1CCCN1C(=O)C(N)Cc1ccccc1.[Li+].[Li+].[OH-].[OH-]
InChIInChI=1S/C24H36N2O6.C23H34N2O6.C20H28N2O5.C18H27NO5.C15H20N2O3.C14H19NO4.2C6H11NO2.2Li.2H2O/c1-23(2,3)31-17-12-10-16(11-13-17)15-18(25-22(29)32-24(4,5)6)20(27)26-14-8-9-19(26)21(28)30-7;1-22(2,3)30-16-11-9-15(10-12-16)14-17(24-21(29)31-23(4,5)6)19(26)25-13-7-8-18(25)20(27)28;1-20(2,3)27-19(25)21-15(13-14-9-6-5-7-10-14)17(23)22-12-8-11-16(22)18(24)26-4;1-17(2,3)23-13-9-7-12(8-10-13)11-14(15(20)21)19-16(22)24-18(4,5)6;1-20-15(19)13-8-5-9-17(13)14(18)12(16)10-11-6-3-2-4-7-11;1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;2*1-9-6(8)5-3-2-4-7-5;;;;/h10-13,18-19H,8-9,14-15H2,1-7H3,(H,25,29);9-12,17-18H,7-8,13-14H2,1-6H3,(H,24,29)(H,27,28);5-7,9-10,15-16H,8,11-13H2,1-4H3,(H,21,25);7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21);2-4,6-7,12-13H,5,8-10,16H2,1H3;4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);2*5,7H,2-4H2,1H3;;;2*1H2/q;;;;;;;;2*+1;;/p-2
InChIKeyGXKRFECMSCMGOM-UHFFFAOYSA-L
XLogP8.91
TPSA654.06 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds32
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002444.82
LogP ≤ 58.91
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide with MolForge

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Related Compounds

Enkephalin-leu, gly-pro-(lys-pro-pro-pro)2-ome-
CID 3082844
H-Lys(Boc)-D-Phe(4-CF3)-xiIle-D-Pro-OH.Cbz-Lys(Boc)-D-Phe(4-CF3)-xiIle-D-Pro-OBn.H-D-Phe(4-CF3)-xiIle-D-Pro-OBn.Boc-D-Phe(4-CF3)-xiIle-D-Pro-OBn.H-xiIle-D-Pro-OBn.Boc-xiIle-D-Pro-OBn.Boc-xiIle-OH.Cbz-Lys(Boc)-OH.Boc-D-Phe(4-CF3)-OH.H-D-Pro-OBn
CID 159340472
CID 160786627
CID 160786627
(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(2-phenoxyacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]butan-2-yl]propanamide;benzyl N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)carbamate;(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-[(2-phenylethylamino)methyl]pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-[[2-phenylethyl(3-phenylpropanoyl)amino]methyl]pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-[[2-phenylethyl-(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide
CID 161415982
Boc-Ser(Bzl)-Gly-Tyr(Bzl)-Ser(Bzl)-Gly-Lys(Z)
CID 101802398
3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 134831225
tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate
CID 138962264
Boc-Tyr-Pro-Leu-Pro-Phe-Ile-Pro-OPfp
CID 25210036
H-Tyr-Pro-Leu-Pro-Phe-Ile-Pro-OPfp
CID 25210037
ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid
CID 54556611
Boc-DL-Tyr(tBu)-DL-Pro-DL-Phe-DL-Pro-OH
CID 59256420
Boc-DL-Tyr(tBu)-DL-Pro-DL-Phe-DL-Pro-OMe
CID 59256434

Frequently Asked Questions

What is the IUPAC name of dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide?
The IUPAC name of dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide (CID 158394895) is dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide.
What is the SMILES notation for dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide?
The canonical SMILES for dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide is CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)N1CCCC1C(=O)O.CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)O.CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)O.COC(=O)C1CCCN1.COC(=O)C1CCCN1.COC(=O)C1CCCN1C(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C.COC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C.COC(=O)C1CCCN1C(=O)C(N)Cc1ccccc1.[Li+].[Li+].[OH-].[OH-].
What is the InChIKey of dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide?
The InChIKey is GXKRFECMSCMGOM-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H36N2O6.C23H34N2O6.C20H28N2O5.C18H27NO5.C15H20N2O3.C14H19NO4.2C6H11NO2.2Li.2H2O/c1-23(2,3)31-17-12-10-16(11-13-17)15-18(25-22(29)32-24(4,5)6)20(27)26-14-8-9-19(26)21(28)30-7;1-22(2,3)30-16-11-9-15(10-12-16)14-17(24-21(29)31-23(4,5)6)19(26)25-13-7-8-18(25)20(27)28;1-20(2,3)27-19(25)21-15(13-14-9-6-5-7-10-14)17(23)22-12-8-11-16(22)18(24)26-4;1-17(2,3)23-13-9-7-12(8-10-13)11-14(15(20)21)19-16(22)24-18(4,5)6;1-20-15(19)13-8-5-9-17(13)14(18)12(16)10-11-6-3-2-4-7-11;1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;2*1-9-6(8)5-3-2-4-7-5;;;;/h10-13,18-19H,8-9,14-15H2,1-7H3,(H,25,29);9-12,17-18H,7-8,13-14H2,1-6H3,(H,24,29)(H,27,28);5-7,9-10,15-16H,8,11-13H2,1-4H3,(H,21,25);7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21);2-4,6-7,12-13H,5,8-10,16H2,1H3;4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);2*5,7H,2-4H2,1H3;;;2*1H2/q;;;;;;;;2*+1;;/p-2.
What are the key properties of dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide?
dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide has a molecular weight of 2444.82 g/mol, XLogP of 8.91, 32 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;methyl 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;bis(methyl pyrrolidine-2-carboxylate);dihydroxide is sourced from PubChem (CID 158394895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).