6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid

C107H112N38O15 — CID 161209571

IUPAC6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid
SMILES[H]/N=C(\C)c1ccc(CCC(=O)c2nc(N)c(C(=O)O)nc2N)cc1.[H]/N=C(\N)c1ccc(CCC(=O)c2nc(N)c(C(=O)NCc3ccc(/C(N)=N/[H])cc3)nc2N)cc1.[H]/N=C(\N)c1ccc(CCC(=O)c2nc(N)c(C(=O)O)nc2NCc2ccc(/C(N)=N/[H])cc2)cc1.[H]/N=C(\N)c1ccc(CCc2nc(C(=O)NCc3ccc(/C(N)=N/[H])cc3)c(N)nc2C(=O)O)cc1.[H]/N=C(\N)c1ccc(CNc2nc(C(=O)O)c(NCc3ccc(/C(N)=N/[H])cc3)nc2C(=O)O)cc1
InChIInChI=1S/C23H25N9O2.2C23H24N8O3.C22H22N8O4.C16H17N5O3/c24-19(25)14-6-1-12(2-7-14)5-10-16(33)17-21(28)32-18(22(29)31-17)23(34)30-11-13-3-8-15(9-4-13)20(26)27;24-19(25)14-6-1-12(2-7-14)5-10-16-17(23(33)34)31-21(28)18(30-16)22(32)29-11-13-3-8-15(9-4-13)20(26)27;24-19(25)14-6-1-12(2-7-14)5-10-16(32)17-22(31-18(23(33)34)21(28)30-17)29-11-13-3-8-15(9-4-13)20(26)27;23-17(24)13-5-1-11(2-6-13)9-27-19-15(21(31)32)30-20(16(29-19)22(33)34)28-10-12-3-7-14(8-4-12)18(25)26;1-8(17)10-5-2-9(3-6-10)4-7-11(22)12-14(18)21-13(16(23)24)15(19)20-12/h1-4,6-9H,5,10-11H2,(H3,24,25)(H3,26,27)(H2,28,32)(H2,29,31)(H,30,34);1-4,6-9H,5,10-11H2,(H3,24,25)(H3,26,27)(H2,28,31)(H,29,32)(H,33,34);1-4,6-9H,5,10-11H2,(H3,24,25)(H3,26,27)(H2,28,30)(H,29,31)(H,33,34);1-8H,9-10H2,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30)(H,31,32)(H,33,34);2-3,5-6,17H,4,7H2,1H3,(H2,18,21)(H2,19,20)(H,23,24)/b;;;;17-8+
InChIKeyUWBCKGWGCYYWCK-WXQQNZSCSA-N
MW2170.32 g/mol
LogP6.96
Rot. Bonds44

About 6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid

6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid (PubChem CID 161209571) has the molecular formula C107H112N38O15 and a molecular weight of 2170.32 g/mol. Its IUPAC name is 6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid
PubChem CID161209571
Molecular FormulaC107H112N38O15
Molecular Weight2170.32 g/mol
Exact Mass2168.92
IUPAC Name6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid
SMILES[H]/N=C(\C)c1ccc(CCC(=O)c2nc(N)c(C(=O)O)nc2N)cc1.[H]/N=C(\N)c1ccc(CCC(=O)c2nc(N)c(C(=O)NCc3ccc(/C(N)=N/[H])cc3)nc2N)cc1.[H]/N=C(\N)c1ccc(CCC(=O)c2nc(N)c(C(=O)O)nc2NCc2ccc(/C(N)=N/[H])cc2)cc1.[H]/N=C(\N)c1ccc(CCc2nc(C(=O)NCc3ccc(/C(N)=N/[H])cc3)c(N)nc2C(=O)O)cc1.[H]/N=C(\N)c1ccc(CNc2nc(C(=O)O)c(NCc3ccc(/C(N)=N/[H])cc3)nc2C(=O)O)cc1
InChIInChI=1S/C23H25N9O2.2C23H24N8O3.C22H22N8O4.C16H17N5O3/c24-19(25)14-6-1-12(2-7-14)5-10-16(33)17-21(28)32-18(22(29)31-17)23(34)30-11-13-3-8-15(9-4-13)20(26)27;24-19(25)14-6-1-12(2-7-14)5-10-16-17(23(33)34)31-21(28)18(30-16)22(32)29-11-13-3-8-15(9-4-13)20(26)27;24-19(25)14-6-1-12(2-7-14)5-10-16(32)17-22(31-18(23(33)34)21(28)30-17)29-11-13-3-8-15(9-4-13)20(26)27;23-17(24)13-5-1-11(2-6-13)9-27-19-15(21(31)32)30-20(16(29-19)22(33)34)28-10-12-3-7-14(8-4-12)18(25)26;1-8(17)10-5-2-9(3-6-10)4-7-11(22)12-14(18)21-13(16(23)24)15(19)20-12/h1-4,6-9H,5,10-11H2,(H3,24,25)(H3,26,27)(H2,28,32)(H2,29,31)(H,30,34);1-4,6-9H,5,10-11H2,(H3,24,25)(H3,26,27)(H2,28,31)(H,29,32)(H,33,34);1-4,6-9H,5,10-11H2,(H3,24,25)(H3,26,27)(H2,28,30)(H,29,31)(H,33,34);1-8H,9-10H2,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30)(H,31,32)(H,33,34);2-3,5-6,17H,4,7H2,1H3,(H2,18,21)(H2,19,20)(H,23,24)/b;;;;17-8+
InChIKeyUWBCKGWGCYYWCK-WXQQNZSCSA-N
XLogP6.96
TPSA1039.83 Ų
H-Bond Donors33
H-Bond Acceptors38
Rotatable Bonds44
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002170.32
LogP ≤ 56.96
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

2-(2-Methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride
CID 157100680
3-Amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 158000422
3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide
CID 158657977
5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 159890348
1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid
CID 159897209
4-(5-acetyl-3,6-diaminopyrazin-2-yl)benzoic acid;4-[5-(4-acetylphenyl)-3-amino-6-(4-aminophenyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3,6-bis(4-aminophenyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3,6-diaminopyrazin-2-yl]benzoic acid;carbon dioxide;(2R)-2-[[5-[4-[[(1R)-1-carboxyethyl]carbamoyl]phenyl]-6-[3-hydroxypropyl(2-methoxyethyl)amino]-3-morpholin-4-ylpyrazine-2-carbonyl]amino]butanoic acid;methane
CID 159970899
3-Amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid
CID 160672823
4-(5-acetyl-3,6-diaminopyrazin-2-yl)benzoic acid;4-[5-(4-acetylphenyl)-3-amino-6-(4-aminophenyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3,6-diaminopyrazin-2-yl]benzoic acid;carbon dioxide;(2R)-2-[[5-[4-[[(1R)-1-carboxyethyl]carbamoyl]phenyl]-6-[3-hydroxypropyl(2-methoxyethyl)amino]-3-morpholin-4-ylpyrazine-2-carbonyl]amino]butanoic acid;methane
CID 161248810
4-(5-acetyl-3,6-diaminopyrazin-2-yl)benzoic acid;4-[5-(4-acetylphenyl)-3-amino-6-(4-aminophenyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3,6-bis(4-aminophenyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3,6-diaminopyrazin-2-yl]benzoic acid;bis(carbon dioxide);(2R)-2-[[5-[4-[[(1R)-1-carboxyethyl]carbamoyl]phenyl]-6-[ethyl(2-methoxyethyl)amino]-3-morpholin-4-ylpyrazine-2-carbonyl]amino]butanoic acid;methane
CID 161332357
1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid;methane
CID 161838147
3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide
CID 162071190
6-Amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 161209574

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid (CID 161209571) is 6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid is [H]/N=C(\C)c1ccc(CCC(=O)c2nc(N)c(C(=O)O)nc2N)cc1.[H]/N=C(\N)c1ccc(CCC(=O)c2nc(N)c(C(=O)NCc3ccc(/C(N)=N/[H])cc3)nc2N)cc1.[H]/N=C(\N)c1ccc(CCC(=O)c2nc(N)c(C(=O)O)nc2NCc2ccc(/C(N)=N/[H])cc2)cc1.[H]/N=C(\N)c1ccc(CCc2nc(C(=O)NCc3ccc(/C(N)=N/[H])cc3)c(N)nc2C(=O)O)cc1.[H]/N=C(\N)c1ccc(CNc2nc(C(=O)O)c(NCc3ccc(/C(N)=N/[H])cc3)nc2C(=O)O)cc1.
What is the InChIKey of 6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid?
The InChIKey is UWBCKGWGCYYWCK-WXQQNZSCSA-N. The full InChI is InChI=1S/C23H25N9O2.2C23H24N8O3.C22H22N8O4.C16H17N5O3/c24-19(25)14-6-1-12(2-7-14)5-10-16(33)17-21(28)32-18(22(29)31-17)23(34)30-11-13-3-8-15(9-4-13)20(26)27;24-19(25)14-6-1-12(2-7-14)5-10-16-17(23(33)34)31-21(28)18(30-16)22(32)29-11-13-3-8-15(9-4-13)20(26)27;24-19(25)14-6-1-12(2-7-14)5-10-16(32)17-22(31-18(23(33)34)21(28)30-17)29-11-13-3-8-15(9-4-13)20(26)27;23-17(24)13-5-1-11(2-6-13)9-27-19-15(21(31)32)30-20(16(29-19)22(33)34)28-10-12-3-7-14(8-4-12)18(25)26;1-8(17)10-5-2-9(3-6-10)4-7-11(22)12-14(18)21-13(16(23)24)15(19)20-12/h1-4,6-9H,5,10-11H2,(H3,24,25)(H3,26,27)(H2,28,32)(H2,29,31)(H,30,34);1-4,6-9H,5,10-11H2,(H3,24,25)(H3,26,27)(H2,28,31)(H,29,32)(H,33,34);1-4,6-9H,5,10-11H2,(H3,24,25)(H3,26,27)(H2,28,30)(H,29,31)(H,33,34);1-8H,9-10H2,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30)(H,31,32)(H,33,34);2-3,5-6,17H,4,7H2,1H3,(H2,18,21)(H2,19,20)(H,23,24)/b;;;;17-8+.
What are the key properties of 6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid?
6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid has a molecular weight of 2170.32 g/mol, XLogP of 6.96, 44 rotatable bonds, 33 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[2-(4-carbamimidoylphenyl)ethyl]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]-5-[3-(4-carbamimidoylphenyl)propanoyl]pyrazine-2-carboxamide;3,6-diamino-5-[3-(4-ethanimidoylphenyl)propanoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 161209571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).