[19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate

C110H160N21O34PS4-4 — CID 159470941

About [19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate

[19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate (PubChem CID 159470941) has the molecular formula C110H160N21O34PS4-4 and a molecular weight of 2479.84 g/mol. Its IUPAC name is [19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate.

Molecular Properties

• Compound Name: [19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate
• PubChem CID: 159470941
• Molecular Formula: C110H160N21O34PS4-4
• Molecular Weight: 2479.84 g/mol
• Exact Mass: 2478.01
• IUPAC Name: [19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate
• SMILES: C=C(CCC(=O)N(O)CCCCCNC(=O)CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C)NCN(O)C(=O)CCC(=O)NCN(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/C42H82N7O12P.C24H24N4O6.C18H20N4O6.C16H21N3O5S2.C10H17N3O5S2/c1-37(44-35-48(57)42(54)29-27-40(52)45-36-47(56)38(2)50)26-28-41(53)46(55)31-23-20-22-30-43-39(51)25-21-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24-33-60-62(58,59)61-34-32-49(3,4)5;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/h44,55-57H,1,6-36H2,2-5H3,(H2-,43,45,51,52,58,59);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)/p-4
• InChIKey: LVUIIOMNMVMOGC-UHFFFAOYSA-J
• XLogP: 2.38
• TPSA: 834.44 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 43
• Rotatable Bonds: 82
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2479.84
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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'}

Frequently Asked Questions

What is the IUPAC name of [19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate?

The IUPAC name of [19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate (CID 159470941) is [19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate.

What is the SMILES notation for [19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate?

The canonical SMILES for [19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate is C=C(CCC(=O)N(O)CCCCCNC(=O)CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C)NCN(O)C(=O)CCC(=O)NCN(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-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate?

The InChIKey is LVUIIOMNMVMOGC-UHFFFAOYSA-J. The full InChI is InChI=1S/C42H82N7O12P.C24H24N4O6.C18H20N4O6.C16H21N3O5S2.C10H17N3O5S2/c1-37(44-35-48(57)42(54)29-27-40(52)45-36-47(56)38(2)50)26-28-41(53)46(55)31-23-20-22-30-43-39(51)25-21-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24-33-60-62(58,59)61-34-32-49(3,4)5;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/h44,55-57H,1,6-36H2,2-5H3,(H2-,43,45,51,52,58,59);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)/p-4.

What are the key properties of [19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate?

[19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate has a molecular weight of 2479.84 g/mol, XLogP of 2.38, 82 rotatable bonds, 24 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [19-[5-[4-[[[4-[[acetyl(hydroxy)amino]methylamino]-4-oxobutanoyl]-hydroxyamino]methylamino]pent-4-enoyl-hydroxyamino]pentylamino]-19-oxononadecyl] 2-(trimethylazaniumyl)ethyl phosphate;3,4-bis[(6-carboxy-2-pyridinyl)methylamino]butanoate;4-[2,3-bis[(6-carboxy-2-pyridinyl)methylamino]propyl]benzoate;4-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]benzoate;N-[4,5-bis[(2-sulfanylacetyl)amino]pentanoyl]carbamate is sourced from PubChem (CID 159470941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).