lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide

C141H147Cl6LiN36O23 — CID 159601989

IUPAClithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide
SMILESC#CCNc1ccccn1.CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1)C(=O)O.CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])cc1)C(=O)O.COC(=O)[C@@H](N)Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1.COC(=O)[C@H](Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1)NC(=O)OC(C)(C)C.COC(=O)[C@H](Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1)NC(=O)c1c(Cl)cccc1Cl.O=C(N[C@@H](Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1)C(=O)O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.[Li+].[OH-]
InChIInChI=1S/C25H22Cl2N6O3.C24H20Cl2N6O3.C23H28N6O4.C22H26N6O4.C18H20N6O2.C14H18N4O4.C8H8N2.C7H4Cl2O2.Li.H2O/c1-36-25(35)21(30-24(34)23-19(26)5-4-6-20(23)27)13-16-8-10-18(11-9-16)33-15-17(31-32-33)14-29-22-7-2-3-12-28-22;25-18-4-3-5-19(26)22(18)23(33)29-20(24(34)35)12-15-7-9-17(10-8-15)32-14-16(30-31-32)13-28-21-6-1-2-11-27-21;1-23(2,3)33-22(31)26-19(21(30)32-4)13-16-8-10-18(11-9-16)29-15-17(27-28-29)14-25-20-7-5-6-12-24-20;1-22(2,3)32-21(31)25-18(20(29)30)12-15-7-9-17(10-8-15)28-14-16(26-27-28)13-24-19-6-4-5-11-23-19;1-26-18(25)16(19)10-13-5-7-15(8-6-13)24-12-14(22-23-24)11-21-17-4-2-3-9-20-17;1-14(2,3)22-13(21)16-11(12(19)20)8-9-4-6-10(7-5-9)17-18-15;1-2-6-9-8-5-3-4-7-10-8;8-4-2-1-3-5(9)6(4)7(10)11;;/h2-12,15,21H,13-14H2,1H3,(H,28,29)(H,30,34);1-11,14,20H,12-13H2,(H,27,28)(H,29,33)(H,34,35);5-12,15,19H,13-14H2,1-4H3,(H,24,25)(H,26,31);4-11,14,18H,12-13H2,1-3H3,(H,23,24)(H,25,31)(H,29,30);2-9,12,16H,10-11,19H2,1H3,(H,20,21);4-7,11H,8H2,1-3H3,(H,16,21)(H,19,20);1,3-5,7H,6H2,(H,9,10);1-3H,(H,10,11);;1H2/q;;;;;;;;+1;/p-1/t21-;20-;19-;18-;16-;11-;;;;/m000000..../s1
InChIKeyMLPBGAFPYZMAPV-UOVIHAAZSA-M
MW2933.61 g/mol
LogP18.89
Rot. Bonds49

About lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide

lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide (PubChem CID 159601989) has the molecular formula C141H147Cl6LiN36O23 and a molecular weight of 2933.61 g/mol. Its IUPAC name is lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide.

Molecular Properties

Compound Namelithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide
PubChem CID159601989
Molecular FormulaC141H147Cl6LiN36O23
Molecular Weight2933.61 g/mol
Exact Mass2928.97
IUPAC Namelithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide
SMILESC#CCNc1ccccn1.CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1)C(=O)O.CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])cc1)C(=O)O.COC(=O)[C@@H](N)Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1.COC(=O)[C@H](Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1)NC(=O)OC(C)(C)C.COC(=O)[C@H](Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1)NC(=O)c1c(Cl)cccc1Cl.O=C(N[C@@H](Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1)C(=O)O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.[Li+].[OH-]
InChIInChI=1S/C25H22Cl2N6O3.C24H20Cl2N6O3.C23H28N6O4.C22H26N6O4.C18H20N6O2.C14H18N4O4.C8H8N2.C7H4Cl2O2.Li.H2O/c1-36-25(35)21(30-24(34)23-19(26)5-4-6-20(23)27)13-16-8-10-18(11-9-16)33-15-17(31-32-33)14-29-22-7-2-3-12-28-22;25-18-4-3-5-19(26)22(18)23(33)29-20(24(34)35)12-15-7-9-17(10-8-15)32-14-16(30-31-32)13-28-21-6-1-2-11-27-21;1-23(2,3)33-22(31)26-19(21(30)32-4)13-16-8-10-18(11-9-16)29-15-17(27-28-29)14-25-20-7-5-6-12-24-20;1-22(2,3)32-21(31)25-18(20(29)30)12-15-7-9-17(10-8-15)28-14-16(26-27-28)13-24-19-6-4-5-11-23-19;1-26-18(25)16(19)10-13-5-7-15(8-6-13)24-12-14(22-23-24)11-21-17-4-2-3-9-20-17;1-14(2,3)22-13(21)16-11(12(19)20)8-9-4-6-10(7-5-9)17-18-15;1-2-6-9-8-5-3-4-7-10-8;8-4-2-1-3-5(9)6(4)7(10)11;;/h2-12,15,21H,13-14H2,1H3,(H,28,29)(H,30,34);1-11,14,20H,12-13H2,(H,27,28)(H,29,33)(H,34,35);5-12,15,19H,13-14H2,1-4H3,(H,24,25)(H,26,31);4-11,14,18H,12-13H2,1-3H3,(H,23,24)(H,25,31)(H,29,30);2-9,12,16H,10-11,19H2,1H3,(H,20,21);4-7,11H,8H2,1-3H3,(H,16,21)(H,19,20);1,3-5,7H,6H2,(H,9,10);1-3H,(H,10,11);;1H2/q;;;;;;;;+1;/p-1/t21-;20-;19-;18-;16-;11-;;;;/m000000..../s1
InChIKeyMLPBGAFPYZMAPV-UOVIHAAZSA-M
XLogP18.89
TPSA809.14 Ų
H-Bond Donors16
H-Bond Acceptors48
Rotatable Bonds49
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002933.61
LogP ≤ 518.89
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

Bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid)
CID 162033624

Frequently Asked Questions

What is the IUPAC name of lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide?
The IUPAC name of lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide (CID 159601989) is lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide.
What is the SMILES notation for lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide?
The canonical SMILES for lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide is C#CCNc1ccccn1.CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1)C(=O)O.CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])cc1)C(=O)O.COC(=O)[C@@H](N)Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1.COC(=O)[C@H](Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1)NC(=O)OC(C)(C)C.COC(=O)[C@H](Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1)NC(=O)c1c(Cl)cccc1Cl.O=C(N[C@@H](Cc1ccc(-n2cc(CNc3ccccn3)nn2)cc1)C(=O)O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.[Li+].[OH-].
What is the InChIKey of lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide?
The InChIKey is MLPBGAFPYZMAPV-UOVIHAAZSA-M. The full InChI is InChI=1S/C25H22Cl2N6O3.C24H20Cl2N6O3.C23H28N6O4.C22H26N6O4.C18H20N6O2.C14H18N4O4.C8H8N2.C7H4Cl2O2.Li.H2O/c1-36-25(35)21(30-24(34)23-19(26)5-4-6-20(23)27)13-16-8-10-18(11-9-16)33-15-17(31-32-33)14-29-22-7-2-3-12-28-22;25-18-4-3-5-19(26)22(18)23(33)29-20(24(34)35)12-15-7-9-17(10-8-15)32-14-16(30-31-32)13-28-21-6-1-2-11-27-21;1-23(2,3)33-22(31)26-19(21(30)32-4)13-16-8-10-18(11-9-16)29-15-17(27-28-29)14-25-20-7-5-6-12-24-20;1-22(2,3)32-21(31)25-18(20(29)30)12-15-7-9-17(10-8-15)28-14-16(26-27-28)13-24-19-6-4-5-11-23-19;1-26-18(25)16(19)10-13-5-7-15(8-6-13)24-12-14(22-23-24)11-21-17-4-2-3-9-20-17;1-14(2,3)22-13(21)16-11(12(19)20)8-9-4-6-10(7-5-9)17-18-15;1-2-6-9-8-5-3-4-7-10-8;8-4-2-1-3-5(9)6(4)7(10)11;;/h2-12,15,21H,13-14H2,1H3,(H,28,29)(H,30,34);1-11,14,20H,12-13H2,(H,27,28)(H,29,33)(H,34,35);5-12,15,19H,13-14H2,1-4H3,(H,24,25)(H,26,31);4-11,14,18H,12-13H2,1-3H3,(H,23,24)(H,25,31)(H,29,30);2-9,12,16H,10-11,19H2,1H3,(H,20,21);4-7,11H,8H2,1-3H3,(H,16,21)(H,19,20);1,3-5,7H,6H2,(H,9,10);1-3H,(H,10,11);;1H2/q;;;;;;;;+1;/p-1/t21-;20-;19-;18-;16-;11-;;;;/m000000..../s1.
What are the key properties of lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide?
lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide has a molecular weight of 2933.61 g/mol, XLogP of 18.89, 49 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide is sourced from PubChem (CID 159601989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).