lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide

C131H144Cl7F7LiN18O26+ — CID 163916289

IUPAClithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide
SMILESCOC(=O)/C(=C/c1ccc(F)cc1Cl)N=[N+]=[N-].COC(=O)C/[NH+]=N/N.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(Cl)cc(F)cc2[nH]1)CC1CC1.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](N)CC1CC1.COC(=O)c1cc2c(Cl)cc(F)cc2[nH]1.N#C[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(Cl)cc(F)cc2[nH]1)CC1CC1.NC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(Cl)cc(F)cc2[nH]1)CC1CC1.O=C(O)c1cc2c(Cl)cc(F)cc2[nH]1.O=Cc1ccc(F)cc1Cl.[Li+].[OH-]
InChIInChI=1S/C26H30ClFN2O5.C25H29ClFN3O4.C25H27ClFN3O3.C16H26N2O4.C10H7ClFN3O2.C10H7ClFNO2.C9H5ClFNO2.C7H4ClFO.C3H7N3O2.Li.H2O/c1-35-26(34)22(9-15-4-2-3-5-23(15)31)30-25(33)16(8-14-6-7-14)10-24(32)21-13-18-19(27)11-17(28)12-20(18)29-21;26-18-10-16(27)11-19-17(18)12-20(29-19)23(32)9-15(7-13-5-6-13)25(34)30-21(24(28)33)8-14-3-1-2-4-22(14)31;26-20-10-17(27)11-21-19(20)12-22(30-21)24(32)9-16(7-14-5-6-14)25(33)29-18(13-28)8-15-3-1-2-4-23(15)31;1-22-16(21)13(9-11-4-2-3-5-14(11)19)18-15(20)12(17)8-10-6-7-10;1-17-10(16)9(14-15-13)4-6-2-3-7(12)5-8(6)11;1-15-10(14)9-4-6-7(11)2-5(12)3-8(6)13-9;10-6-1-4(11)2-7-5(6)3-8(12-7)9(13)14;8-7-3-6(9)2-1-5(7)4-10;1-8-3(7)2-5-6-4;;/h11-16,22,29H,2-10H2,1H3,(H,30,33);10-15,21,29H,1-9H2,(H2,28,33)(H,30,34);10-12,14-16,18,30H,1-9H2,(H,29,33);10-13H,2-9,17H2,1H3,(H,18,20);2-5H,1H3;2-4,13H,1H3;1-3,12H,(H,13,14);1-4H;2H2,1H3,(H2,4,5);;1H2/q;;;;;;;;;+1;/b;;;;9-4-;;;;;;/t15-,16+,22-;14-,15+,21-;15-,16+,18-;11-,12-,13-;;;;;;;/m0000......./s1
InChIKeyQWNNIQQNISVZQY-AEUMVLNZSA-N
MW2774.79 g/mol
LogP20.25
Rot. Bonds44

About lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide

lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide (PubChem CID 163916289) has the molecular formula C131H144Cl7F7LiN18O26+ and a molecular weight of 2774.79 g/mol. Its IUPAC name is lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide.

Molecular Properties

Compound Namelithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide
PubChem CID163916289
Molecular FormulaC131H144Cl7F7LiN18O26+
Molecular Weight2774.79 g/mol
Exact Mass2769.84
IUPAC Namelithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide
SMILESCOC(=O)/C(=C/c1ccc(F)cc1Cl)N=[N+]=[N-].COC(=O)C/[NH+]=N/N.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(Cl)cc(F)cc2[nH]1)CC1CC1.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](N)CC1CC1.COC(=O)c1cc2c(Cl)cc(F)cc2[nH]1.N#C[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(Cl)cc(F)cc2[nH]1)CC1CC1.NC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(Cl)cc(F)cc2[nH]1)CC1CC1.O=C(O)c1cc2c(Cl)cc(F)cc2[nH]1.O=Cc1ccc(F)cc1Cl.[Li+].[OH-]
InChIInChI=1S/C26H30ClFN2O5.C25H29ClFN3O4.C25H27ClFN3O3.C16H26N2O4.C10H7ClFN3O2.C10H7ClFNO2.C9H5ClFNO2.C7H4ClFO.C3H7N3O2.Li.H2O/c1-35-26(34)22(9-15-4-2-3-5-23(15)31)30-25(33)16(8-14-6-7-14)10-24(32)21-13-18-19(27)11-17(28)12-20(18)29-21;26-18-10-16(27)11-19-17(18)12-20(29-19)23(32)9-15(7-13-5-6-13)25(34)30-21(24(28)33)8-14-3-1-2-4-22(14)31;26-20-10-17(27)11-21-19(20)12-22(30-21)24(32)9-16(7-14-5-6-14)25(33)29-18(13-28)8-15-3-1-2-4-23(15)31;1-22-16(21)13(9-11-4-2-3-5-14(11)19)18-15(20)12(17)8-10-6-7-10;1-17-10(16)9(14-15-13)4-6-2-3-7(12)5-8(6)11;1-15-10(14)9-4-6-7(11)2-5(12)3-8(6)13-9;10-6-1-4(11)2-7-5(6)3-8(12-7)9(13)14;8-7-3-6(9)2-1-5(7)4-10;1-8-3(7)2-5-6-4;;/h11-16,22,29H,2-10H2,1H3,(H,30,33);10-15,21,29H,1-9H2,(H2,28,33)(H,30,34);10-12,14-16,18,30H,1-9H2,(H,29,33);10-13H,2-9,17H2,1H3,(H,18,20);2-5H,1H3;2-4,13H,1H3;1-3,12H,(H,13,14);1-4H;2H2,1H3,(H2,4,5);;1H2/q;;;;;;;;;+1;/b;;;;9-4-;;;;;;/t15-,16+,22-;14-,15+,21-;15-,16+,18-;11-,12-,13-;;;;;;;/m0000......./s1
InChIKeyQWNNIQQNISVZQY-AEUMVLNZSA-N
XLogP20.25
TPSA724.72 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds44
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002774.79
LogP ≤ 520.25
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide?
The IUPAC name of lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide (CID 163916289) is lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide.
What is the SMILES notation for lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide?
The canonical SMILES for lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide is COC(=O)/C(=C/c1ccc(F)cc1Cl)N=[N+]=[N-].COC(=O)C/[NH+]=N/N.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(Cl)cc(F)cc2[nH]1)CC1CC1.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](N)CC1CC1.COC(=O)c1cc2c(Cl)cc(F)cc2[nH]1.N#C[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(Cl)cc(F)cc2[nH]1)CC1CC1.NC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(Cl)cc(F)cc2[nH]1)CC1CC1.O=C(O)c1cc2c(Cl)cc(F)cc2[nH]1.O=Cc1ccc(F)cc1Cl.[Li+].[OH-].
What is the InChIKey of lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide?
The InChIKey is QWNNIQQNISVZQY-AEUMVLNZSA-N. The full InChI is InChI=1S/C26H30ClFN2O5.C25H29ClFN3O4.C25H27ClFN3O3.C16H26N2O4.C10H7ClFN3O2.C10H7ClFNO2.C9H5ClFNO2.C7H4ClFO.C3H7N3O2.Li.H2O/c1-35-26(34)22(9-15-4-2-3-5-23(15)31)30-25(33)16(8-14-6-7-14)10-24(32)21-13-18-19(27)11-17(28)12-20(18)29-21;26-18-10-16(27)11-19-17(18)12-20(29-19)23(32)9-15(7-13-5-6-13)25(34)30-21(24(28)33)8-14-3-1-2-4-22(14)31;26-20-10-17(27)11-21-19(20)12-22(30-21)24(32)9-16(7-14-5-6-14)25(33)29-18(13-28)8-15-3-1-2-4-23(15)31;1-22-16(21)13(9-11-4-2-3-5-14(11)19)18-15(20)12(17)8-10-6-7-10;1-17-10(16)9(14-15-13)4-6-2-3-7(12)5-8(6)11;1-15-10(14)9-4-6-7(11)2-5(12)3-8(6)13-9;10-6-1-4(11)2-7-5(6)3-8(12-7)9(13)14;8-7-3-6(9)2-1-5(7)4-10;1-8-3(7)2-5-6-4;;/h11-16,22,29H,2-10H2,1H3,(H,30,33);10-15,21,29H,1-9H2,(H2,28,33)(H,30,34);10-12,14-16,18,30H,1-9H2,(H,29,33);10-13H,2-9,17H2,1H3,(H,18,20);2-5H,1H3;2-4,13H,1H3;1-3,12H,(H,13,14);1-4H;2H2,1H3,(H2,4,5);;1H2/q;;;;;;;;;+1;/b;;;;9-4-;;;;;;/t15-,16+,22-;14-,15+,21-;15-,16+,18-;11-,12-,13-;;;;;;;/m0000......./s1.
What are the key properties of lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide?
lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide has a molecular weight of 2774.79 g/mol, XLogP of 20.25, 44 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;hydrazinylidene-(2-methoxy-2-oxoethyl)azanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2R)-4-(4-chloro-6-fluoro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide is sourced from PubChem (CID 163916289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).