[19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane

C115H174N20O33PS4- — CID 164980548

About [19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane

[19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane (PubChem CID 164980548) has the molecular formula C115H174N20O33PS4- and a molecular weight of 2524.01 g/mol. Its IUPAC name is [19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane.

Molecular Properties

• Compound Name: [19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane
• PubChem CID: 164980548
• Molecular Formula: C115H174N20O33PS4-
• Molecular Weight: 2524.01 g/mol
• Exact Mass: 2522.12
• IUPAC Name: [19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane
• SMILES: C.C=C(CCC(=O)N(O)CCCCCNC(=O)CCCCCCCCCCCCCCCCCCOP(C)(=O)[O-])NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O.O=C(CS)NCC(CCC(=O)Nc1ccc(C(=O)O)cc1)NC(=O)CS.O=C(O)CC(CNCc1cccc(C(=O)O)n1)NCc1cccc(C(=O)O)n1.O=C(O)NC(=O)CCC(CNC(=O)CS)NC(=O)CS.O=C(O)c1ccc(CC(CNCc2cccc(C(=O)O)n2)NCc2cccc(C(=O)O)n2)cc1
• InChI: InChI=1S/C46H89N6O11P.C24H24N4O6.C18H20N4O6.C16H21N3O5S2.C10H17N3O5S2.CH4/c1-41(47-34-22-18-26-39-52(60)46(57)33-31-44(55)49-36-23-19-25-37-50(58)42(2)53)30-32-45(56)51(59)38-27-20-24-35-48-43(54)29-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-28-40-63-64(3,61)62;29-22(30)16-9-7-15(8-10-16)11-19(26-14-18-4-2-6-21(28-18)24(33)34)13-25-12-17-3-1-5-20(27-17)23(31)32;23-16(24)7-13(20-10-12-4-2-6-15(22-12)18(27)28)9-19-8-11-3-1-5-14(21-11)17(25)26;20-13(18-11-3-1-10(2-4-11)16(23)24)6-5-12(19-15(22)9-26)7-17-14(21)8-25;14-7(13-10(17)18)2-1-6(12-9(16)5-20)3-11-8(15)4-19;/h47,58-60H,1,4-40H2,2-3H3,(H,48,54)(H,49,55)(H,61,62);1-10,19,25-26H,11-14H2,(H,29,30)(H,31,32)(H,33,34);1-6,13,19-20H,7-10H2,(H,23,24)(H,25,26)(H,27,28);1-4,12,25-26H,5-9H2,(H,17,21)(H,18,20)(H,19,22)(H,23,24);6,19-20H,1-5H2,(H,11,15)(H,12,16)(H,13,14)(H,17,18);1H4/p-1
• InChIKey: FKNHMBKAEPPRNA-UHFFFAOYSA-M
• XLogP: 10.78
• TPSA: 813.89 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 38
• Rotatable Bonds: 86
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2524.01
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane?

The IUPAC name of [19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane (CID 164980548) is [19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane.

What is the SMILES notation for [19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane?

The canonical SMILES for [19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane is C.C=C(CCC(=O)N(O)CCCCCNC(=O)CCCCCCCCCCCCCCCCCCOP(C)(=O)[O-])NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O.O=C(CS)NCC(CCC(=O)Nc1ccc(C(=O)O)cc1)NC(=O)CS.O=C(O)CC(CNCc1cccc(C(=O)O)n1)NCc1cccc(C(=O)O)n1.O=C(O)NC(=O)CCC(CNC(=O)CS)NC(=O)CS.O=C(O)c1ccc(CC(CNCc2cccc(C(=O)O)n2)NCc2cccc(C(=O)O)n2)cc1.

What is the InChIKey of [19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane?

The InChIKey is FKNHMBKAEPPRNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C46H89N6O11P.C24H24N4O6.C18H20N4O6.C16H21N3O5S2.C10H17N3O5S2.CH4/c1-41(47-34-22-18-26-39-52(60)46(57)33-31-44(55)49-36-23-19-25-37-50(58)42(2)53)30-32-45(56)51(59)38-27-20-24-35-48-43(54)29-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-28-40-63-64(3,61)62;29-22(30)16-9-7-15(8-10-16)11-19(26-14-18-4-2-6-21(28-18)24(33)34)13-25-12-17-3-1-5-20(27-17)23(31)32;23-16(24)7-13(20-10-12-4-2-6-15(22-12)18(27)28)9-19-8-11-3-1-5-14(21-11)17(25)26;20-13(18-11-3-1-10(2-4-11)16(23)24)6-5-12(19-15(22)9-26)7-17-14(21)8-25;14-7(13-10(17)18)2-1-6(12-9(16)5-20)3-11-8(15)4-19;/h47,58-60H,1,4-40H2,2-3H3,(H,48,54)(H,49,55)(H,61,62);1-10,19,25-26H,11-14H2,(H,29,30)(H,31,32)(H,33,34);1-6,13,19-20H,7-10H2,(H,23,24)(H,25,26)(H,27,28);1-4,12,25-26H,5-9H2,(H,17,21)(H,18,20)(H,19,22)(H,23,24);6,19-20H,1-5H2,(H,11,15)(H,12,16)(H,13,14)(H,17,18);1H4/p-1.

What are the key properties of [19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane?

[19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane has a molecular weight of 2524.01 g/mol, XLogP of 10.78, 86 rotatable bonds, 28 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [19-[5-[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecoxy]-methylphosphinate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoic acid;4,5-bis[(2-sulfanylacetyl)amino]pentanoylcarbamic acid;6-[[[3-carboxy-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;6-[[[3-(4-carboxyphenyl)-2-[(6-carboxy-2-pyridinyl)methylamino]propyl]amino]methyl]pyridine-2-carboxylic acid;methane is sourced from PubChem (CID 164980548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).