tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide

C193H347N15O58 — CID 158146591

IUPACtetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide
SMILESC=C(O)C(C)CC(=O)NCCC(=O)NCCCC(=O)COCCOCCNC(=O)CC.CCC(=O)NCCCC(=O)COCCOCCNC(=O)CC.CCC(=O)NCCOCCOCC(=O)CCCNC(=O)CCN1C(=O)CC(C)C1=O.CCC(=O)NCCOCCOCC(=O)CCCNC(=O)CCNC(=O)C(C)CC(C)=O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/4C29H53NO8.2C21H37N3O7.C20H33N3O7.C15H28N2O5/c4*1-37-23-24-38-22-16-17-25(31)20-21-26(29(35)36)30-27(32)18-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-28(33)34;1-4-19(27)24-10-11-30-12-13-31-15-18(26)6-5-8-22-20(28)7-9-23-21(29)14-16(2)17(3)25;1-4-19(27)23-10-11-30-12-13-31-15-18(26)6-5-8-22-20(28)7-9-24-21(29)16(2)14-17(3)25;1-3-17(25)22-8-10-29-11-12-30-14-16(24)5-4-7-21-18(26)6-9-23-19(27)13-15(2)20(23)28;1-3-14(19)16-7-5-6-13(18)12-22-11-10-21-9-8-17-15(20)4-2/h4*26H,2-24H2,1H3,(H,30,32)(H,33,34)(H,35,36);16,25H,3-15H2,1-2H3,(H,22,28)(H,23,29)(H,24,27);16H,4-15H2,1-3H3,(H,22,28)(H,23,27)(H,24,29);15H,3-14H2,1-2H3,(H,21,26)(H,22,25);3-12H2,1-2H3,(H,16,19)(H,17,20)/t4*26-;;;;/m0000..../s1
InChIKeyFUPAMJMELRRUIJ-GWAJQEQASA-N
MW3805.95 g/mol
LogP23.66
Rot. Bonds184

About tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide

tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide (PubChem CID 158146591) has the molecular formula C193H347N15O58 and a molecular weight of 3805.95 g/mol. Its IUPAC name is tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide.

Molecular Properties

Compound Nametetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide
PubChem CID158146591
Molecular FormulaC193H347N15O58
Molecular Weight3805.95 g/mol
Exact Mass3803.47
IUPAC Nametetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide
SMILESC=C(O)C(C)CC(=O)NCCC(=O)NCCCC(=O)COCCOCCNC(=O)CC.CCC(=O)NCCCC(=O)COCCOCCNC(=O)CC.CCC(=O)NCCOCCOCC(=O)CCCNC(=O)CCN1C(=O)CC(C)C1=O.CCC(=O)NCCOCCOCC(=O)CCCNC(=O)CCNC(=O)C(C)CC(C)=O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/4C29H53NO8.2C21H37N3O7.C20H33N3O7.C15H28N2O5/c4*1-37-23-24-38-22-16-17-25(31)20-21-26(29(35)36)30-27(32)18-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-28(33)34;1-4-19(27)24-10-11-30-12-13-31-15-18(26)6-5-8-22-20(28)7-9-23-21(29)14-16(2)17(3)25;1-4-19(27)23-10-11-30-12-13-31-15-18(26)6-5-8-22-20(28)7-9-24-21(29)16(2)14-17(3)25;1-3-17(25)22-8-10-29-11-12-30-14-16(24)5-4-7-21-18(26)6-9-23-19(27)13-15(2)20(23)28;1-3-14(19)16-7-5-6-13(18)12-22-11-10-21-9-8-17-15(20)4-2/h4*26H,2-24H2,1H3,(H,30,32)(H,33,34)(H,35,36);16,25H,3-15H2,1-2H3,(H,22,28)(H,23,29)(H,24,27);16H,4-15H2,1-3H3,(H,22,28)(H,23,27)(H,24,29);15H,3-14H2,1-2H3,(H,21,26)(H,22,25);3-12H2,1-2H3,(H,16,19)(H,17,20)/t4*26-;;;;/m0000..../s1
InChIKeyFUPAMJMELRRUIJ-GWAJQEQASA-N
XLogP23.66
TPSA1064.72 Ų
H-Bond Donors23
H-Bond Acceptors50
Rotatable Bonds184
Heavy Atoms266
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003805.95
LogP ≤ 523.66
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide?
The IUPAC name of tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide (CID 158146591) is tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide.
What is the SMILES notation for tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide?
The canonical SMILES for tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide is C=C(O)C(C)CC(=O)NCCC(=O)NCCCC(=O)COCCOCCNC(=O)CC.CCC(=O)NCCCC(=O)COCCOCCNC(=O)CC.CCC(=O)NCCOCCOCC(=O)CCCNC(=O)CCN1C(=O)CC(C)C1=O.CCC(=O)NCCOCCOCC(=O)CCCNC(=O)CCNC(=O)C(C)CC(C)=O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide?
The InChIKey is FUPAMJMELRRUIJ-GWAJQEQASA-N. The full InChI is InChI=1S/4C29H53NO8.2C21H37N3O7.C20H33N3O7.C15H28N2O5/c4*1-37-23-24-38-22-16-17-25(31)20-21-26(29(35)36)30-27(32)18-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-28(33)34;1-4-19(27)24-10-11-30-12-13-31-15-18(26)6-5-8-22-20(28)7-9-23-21(29)14-16(2)17(3)25;1-4-19(27)23-10-11-30-12-13-31-15-18(26)6-5-8-22-20(28)7-9-24-21(29)16(2)14-17(3)25;1-3-17(25)22-8-10-29-11-12-30-14-16(24)5-4-7-21-18(26)6-9-23-19(27)13-15(2)20(23)28;1-3-14(19)16-7-5-6-13(18)12-22-11-10-21-9-8-17-15(20)4-2/h4*26H,2-24H2,1H3,(H,30,32)(H,33,34)(H,35,36);16,25H,3-15H2,1-2H3,(H,22,28)(H,23,29)(H,24,27);16H,4-15H2,1-3H3,(H,22,28)(H,23,27)(H,24,29);15H,3-14H2,1-2H3,(H,21,26)(H,22,25);3-12H2,1-2H3,(H,16,19)(H,17,20)/t4*26-;;;;/m0000..../s1.
What are the key properties of tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide?
tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide has a molecular weight of 3805.95 g/mol, XLogP of 23.66, 184 rotatable bonds, 23 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide is sourced from PubChem (CID 158146591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).