(4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid

C132H248N10O28+2 — CID 158555440

About (4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid

(4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid (PubChem CID 158555440) has the molecular formula C132H248N10O28+2 and a molecular weight of 2423.48 g/mol. Its IUPAC name is (4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid.

Molecular Properties

• Compound Name: (4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid
• PubChem CID: 158555440
• Molecular Formula: C132H248N10O28+2
• Molecular Weight: 2423.48 g/mol
• Exact Mass: 2421.83
• IUPAC Name: (4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid
• SMILES: CC(=O)[C@@H](N)CCC(=O)O.CCCCCCCCCCCCCCCC(=O)CC(CCC(=O)NCCOCCOCCOCCN=[N+]=N)C(=O)O.CCCCCCCCCCCCCCCC(=O)C[C@@H](CCC(=O)NCCOCCOCCOCCN=[N+]=N)C(=O)OC(C)(C)C.CCCCCCCCCCCCCCCC(=O)C[C@@H](CCC(=O)O)C(=O)OC(C)(C)C.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C34H64N4O7.C30H56N4O7.C26H48O5.C20H35NO4.C16H32O2.C6H11NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(39)29-30(33(41)45-34(2,3)4)19-20-32(40)36-21-23-42-25-27-44-28-26-43-24-22-37-38-35;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28(35)26-27(30(37)38)16-17-29(36)32-18-20-39-22-24-41-25-23-40-21-19-33-34-31;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)21-22(19-20-24(28)29)25(30)31-26(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)25-21-18(22)16-17-19(21)23;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-4(8)5(7)2-3-6(9)10/h30,35H,5-29H2,1-4H3;27,31H,2-26H2,1H3,(H-,32,36,37,38);22H,5-21H2,1-4H3,(H,28,29);2-17H2,1H3;2-15H2,1H3,(H,17,18);5H,2-3,7H2,1H3,(H,9,10)/p+2/t30-;;22-;;;5-/m1.1..0/s1
• InChIKey: CTACOBLFPBBSEV-KJFBQVIHSA-P
• XLogP: 30.15
• TPSA: 573.98 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 117
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2423.48
LogP ≤ 5	30.15
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid?

The IUPAC name of (4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid (CID 158555440) is (4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid.

What is the SMILES notation for (4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid?

The canonical SMILES for (4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid is CC(=O)[C@@H](N)CCC(=O)O.CCCCCCCCCCCCCCCC(=O)CC(CCC(=O)NCCOCCOCCOCCN=[N+]=N)C(=O)O.CCCCCCCCCCCCCCCC(=O)C[C@@H](CCC(=O)NCCOCCOCCOCCN=[N+]=N)C(=O)OC(C)(C)C.CCCCCCCCCCCCCCCC(=O)C[C@@H](CCC(=O)O)C(=O)OC(C)(C)C.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid?

The InChIKey is CTACOBLFPBBSEV-KJFBQVIHSA-P. The full InChI is InChI=1S/C34H64N4O7.C30H56N4O7.C26H48O5.C20H35NO4.C16H32O2.C6H11NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(39)29-30(33(41)45-34(2,3)4)19-20-32(40)36-21-23-42-25-27-44-28-26-43-24-22-37-38-35;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28(35)26-27(30(37)38)16-17-29(36)32-18-20-39-22-24-41-25-23-40-21-19-33-34-31;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)21-22(19-20-24(28)29)25(30)31-26(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)25-21-18(22)16-17-19(21)23;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-4(8)5(7)2-3-6(9)10/h30,35H,5-29H2,1-4H3;27,31H,2-26H2,1H3,(H-,32,36,37,38);22H,5-21H2,1-4H3,(H,28,29);2-17H2,1H3;2-15H2,1H3,(H,17,18);5H,2-3,7H2,1H3,(H,9,10)/p+2/t30-;;22-;;;5-/m1.1..0/s1.

What are the key properties of (4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid?

(4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid has a molecular weight of 2423.48 g/mol, XLogP of 30.15, 117 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid is sourced from PubChem (CID 158555440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).