lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide

C153H200Cl10LiN15O22S5 — CID 167706871

IUPAClithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide
SMILESC.C.C.CC(C)(C)OC(=O)NCCN.CC(C)CC(SC#N)C(=O)c1ccc(Cl)c(Cl)c1.CC(C)Cc1sc(NCC(Cc2cccc(C(=O)NCCN)c2)C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.CC(C)Cc1sc(NCC(Cc2cccc(C(=O)O)c2)C(=O)OC(C)(C)C)nc1-c1ccc(Cl)c(Cl)c1.CCCNC(=O)c1cccc(CC(CNc2nc(-c3ccc(Cl)c(Cl)c3)c(CC(C)C)s2)C(=O)OC(C)(C)C)c1.COC(=O)c1cccc(CC(CN)C(=O)OC(C)(C)C)c1.COC(=O)c1cccc(CC(CNc2nc(-c3ccc(Cl)c(Cl)c3)c(CC(C)C)s2)C(=O)OC(C)(C)C)c1.[Li+].[OH-]
InChIInChI=1S/C31H39Cl2N3O3S.C29H34Cl2N2O4S.C28H32Cl2N2O4S.C26H30Cl2N4O3S.C16H23NO4.C13H13Cl2NOS.C7H16N2O2.3CH4.Li.H2O/c1-7-13-34-28(37)22-10-8-9-20(15-22)16-23(29(38)39-31(4,5)6)18-35-30-36-27(26(40-30)14-19(2)3)21-11-12-24(32)25(33)17-21;1-17(2)12-24-25(19-10-11-22(30)23(31)15-19)33-28(38-24)32-16-21(27(35)37-29(3,4)5)14-18-8-7-9-20(13-18)26(34)36-6;1-16(2)11-23-24(18-9-10-21(29)22(30)14-18)32-27(37-23)31-15-20(26(35)36-28(3,4)5)13-17-7-6-8-19(12-17)25(33)34;1-15(2)10-22-23(17-6-7-20(27)21(28)13-17)32-26(36-22)31-14-19(25(34)35)12-16-4-3-5-18(11-16)24(33)30-9-8-29;1-16(2,3)21-15(19)13(10-17)9-11-6-5-7-12(8-11)14(18)20-4;1-8(2)5-12(18-7-16)13(17)9-3-4-10(14)11(15)6-9;1-7(2,3)11-6(10)9-5-4-8;;;;;/h8-12,15,17,19,23H,7,13-14,16,18H2,1-6H3,(H,34,37)(H,35,36);7-11,13,15,17,21H,12,14,16H2,1-6H3,(H,32,33);6-10,12,14,16,20H,11,13,15H2,1-5H3,(H,31,32)(H,33,34);3-7,11,13,15,19H,8-10,12,14,29H2,1-2H3,(H,30,33)(H,31,32)(H,34,35);5-8,13H,9-10,17H2,1-4H3;3-4,6,8,12H,5H2,1-2H3;4-5,8H2,1-3H3,(H,9,10);3*1H4;;1H2/q;;;;;;;;;;+1;/p-1
InChIKeyZFMDQCGFQRHNTN-UHFFFAOYSA-M
MW3123.17 g/mol
LogP34.71
Rot. Bonds56

About lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide

lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide (PubChem CID 167706871) has the molecular formula C153H200Cl10LiN15O22S5 and a molecular weight of 3123.17 g/mol. Its IUPAC name is lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide.

Molecular Properties

Compound Namelithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide
PubChem CID167706871
Molecular FormulaC153H200Cl10LiN15O22S5
Molecular Weight3123.17 g/mol
Exact Mass3116.06
IUPAC Namelithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide
SMILESC.C.C.CC(C)(C)OC(=O)NCCN.CC(C)CC(SC#N)C(=O)c1ccc(Cl)c(Cl)c1.CC(C)Cc1sc(NCC(Cc2cccc(C(=O)NCCN)c2)C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.CC(C)Cc1sc(NCC(Cc2cccc(C(=O)O)c2)C(=O)OC(C)(C)C)nc1-c1ccc(Cl)c(Cl)c1.CCCNC(=O)c1cccc(CC(CNc2nc(-c3ccc(Cl)c(Cl)c3)c(CC(C)C)s2)C(=O)OC(C)(C)C)c1.COC(=O)c1cccc(CC(CN)C(=O)OC(C)(C)C)c1.COC(=O)c1cccc(CC(CNc2nc(-c3ccc(Cl)c(Cl)c3)c(CC(C)C)s2)C(=O)OC(C)(C)C)c1.[Li+].[OH-]
InChIInChI=1S/C31H39Cl2N3O3S.C29H34Cl2N2O4S.C28H32Cl2N2O4S.C26H30Cl2N4O3S.C16H23NO4.C13H13Cl2NOS.C7H16N2O2.3CH4.Li.H2O/c1-7-13-34-28(37)22-10-8-9-20(15-22)16-23(29(38)39-31(4,5)6)18-35-30-36-27(26(40-30)14-19(2)3)21-11-12-24(32)25(33)17-21;1-17(2)12-24-25(19-10-11-22(30)23(31)15-19)33-28(38-24)32-16-21(27(35)37-29(3,4)5)14-18-8-7-9-20(13-18)26(34)36-6;1-16(2)11-23-24(18-9-10-21(29)22(30)14-18)32-27(37-23)31-15-20(26(35)36-28(3,4)5)13-17-7-6-8-19(12-17)25(33)34;1-15(2)10-22-23(17-6-7-20(27)21(28)13-17)32-26(36-22)31-14-19(25(34)35)12-16-4-3-5-18(11-16)24(33)30-9-8-29;1-16(2,3)21-15(19)13(10-17)9-11-6-5-7-12(8-11)14(18)20-4;1-8(2)5-12(18-7-16)13(17)9-3-4-10(14)11(15)6-9;1-7(2,3)11-6(10)9-5-4-8;;;;;/h8-12,15,17,19,23H,7,13-14,16,18H2,1-6H3,(H,34,37)(H,35,36);7-11,13,15,17,21H,12,14,16H2,1-6H3,(H,32,33);6-10,12,14,16,20H,11,13,15H2,1-5H3,(H,31,32)(H,33,34);3-7,11,13,15,19H,8-10,12,14,29H2,1-2H3,(H,30,33)(H,31,32)(H,34,35);5-8,13H,9-10,17H2,1-4H3;3-4,6,8,12H,5H2,1-2H3;4-5,8H2,1-3H3,(H,9,10);3*1H4;;1H2/q;;;;;;;;;;+1;/p-1
InChIKeyZFMDQCGFQRHNTN-UHFFFAOYSA-M
XLogP34.71
TPSA577.53 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds56
Heavy Atoms206
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003123.17
LogP ≤ 534.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide?
The IUPAC name of lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide (CID 167706871) is lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide.
What is the SMILES notation for lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide?
The canonical SMILES for lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide is C.C.C.CC(C)(C)OC(=O)NCCN.CC(C)CC(SC#N)C(=O)c1ccc(Cl)c(Cl)c1.CC(C)Cc1sc(NCC(Cc2cccc(C(=O)NCCN)c2)C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.CC(C)Cc1sc(NCC(Cc2cccc(C(=O)O)c2)C(=O)OC(C)(C)C)nc1-c1ccc(Cl)c(Cl)c1.CCCNC(=O)c1cccc(CC(CNc2nc(-c3ccc(Cl)c(Cl)c3)c(CC(C)C)s2)C(=O)OC(C)(C)C)c1.COC(=O)c1cccc(CC(CN)C(=O)OC(C)(C)C)c1.COC(=O)c1cccc(CC(CNc2nc(-c3ccc(Cl)c(Cl)c3)c(CC(C)C)s2)C(=O)OC(C)(C)C)c1.[Li+].[OH-].
What is the InChIKey of lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide?
The InChIKey is ZFMDQCGFQRHNTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H39Cl2N3O3S.C29H34Cl2N2O4S.C28H32Cl2N2O4S.C26H30Cl2N4O3S.C16H23NO4.C13H13Cl2NOS.C7H16N2O2.3CH4.Li.H2O/c1-7-13-34-28(37)22-10-8-9-20(15-22)16-23(29(38)39-31(4,5)6)18-35-30-36-27(26(40-30)14-19(2)3)21-11-12-24(32)25(33)17-21;1-17(2)12-24-25(19-10-11-22(30)23(31)15-19)33-28(38-24)32-16-21(27(35)37-29(3,4)5)14-18-8-7-9-20(13-18)26(34)36-6;1-16(2)11-23-24(18-9-10-21(29)22(30)14-18)32-27(37-23)31-15-20(26(35)36-28(3,4)5)13-17-7-6-8-19(12-17)25(33)34;1-15(2)10-22-23(17-6-7-20(27)21(28)13-17)32-26(36-22)31-14-19(25(34)35)12-16-4-3-5-18(11-16)24(33)30-9-8-29;1-16(2,3)21-15(19)13(10-17)9-11-6-5-7-12(8-11)14(18)20-4;1-8(2)5-12(18-7-16)13(17)9-3-4-10(14)11(15)6-9;1-7(2,3)11-6(10)9-5-4-8;;;;;/h8-12,15,17,19,23H,7,13-14,16,18H2,1-6H3,(H,34,37)(H,35,36);7-11,13,15,17,21H,12,14,16H2,1-6H3,(H,32,33);6-10,12,14,16,20H,11,13,15H2,1-5H3,(H,31,32)(H,33,34);3-7,11,13,15,19H,8-10,12,14,29H2,1-2H3,(H,30,33)(H,31,32)(H,34,35);5-8,13H,9-10,17H2,1-4H3;3-4,6,8,12H,5H2,1-2H3;4-5,8H2,1-3H3,(H,9,10);3*1H4;;1H2/q;;;;;;;;;;+1;/p-1.
What are the key properties of lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide?
lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide has a molecular weight of 3123.17 g/mol, XLogP of 34.71, 56 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[[3-(2-aminoethylcarbamoyl)phenyl]methyl]-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[3-(propylcarbamoyl)phenyl]propanoate;[1-(3,4-dichlorophenyl)-4-methyl-1-oxopentan-2-yl] thiocyanate;3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;methane;methyl 3-[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;methyl 3-[2-[[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;hydroxide is sourced from PubChem (CID 167706871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).