23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid

C64H115N11O21 — CID 59149310

About 23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid

23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid (PubChem CID 59149310) has the molecular formula C64H115N11O21 and a molecular weight of 1374.68 g/mol. Its IUPAC name is 23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid.

Molecular Properties

• Compound Name: 23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid
• PubChem CID: 59149310
• Molecular Formula: C64H115N11O21
• Molecular Weight: 1374.68 g/mol
• Exact Mass: 1373.83
• IUPAC Name: 23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid
• SMILES: CCCCC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCN(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CCCCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C64H115N11O21/c1-4-5-25-53(80)50(41-76)73-60(88)47(27-29-54(65)81)70-62(90)49(31-33-75(2)3)72-64(92)52(43-78)74-61(89)48(28-30-55(66)82)71-63(91)51(42-77)69-56(83)40-68-58(85)45-96-39-37-94-35-32-67-57(84)44-95-38-36-93-34-22-24-46(79)23-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-26-59(86)87/h47-52,76-78H,4-45H2,1-3H3,(H2,65,81)(H2,66,82)(H,67,84)(H,68,85)(H,69,83)(H,70,90)(H,71,91)(H,72,92)(H,73,88)(H,74,89)(H,86,87)/t47-,48-,49-,50-,51+,52-/m0/s1
• InChIKey: LLHXZAJGCGGLKB-ACOHIDPVSA-N
• XLogP: -1.13
• TPSA: 491.27 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 65
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1374.68
LogP ≤ 5	-1.13
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid?

The IUPAC name of 23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid (CID 59149310) is 23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid.

What is the SMILES notation for 23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid?

The canonical SMILES for 23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid is CCCCC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCN(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CCCCCCCCCCCCCCCCCCC(=O)O.

What is the InChIKey of 23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid?

The InChIKey is LLHXZAJGCGGLKB-ACOHIDPVSA-N. The full InChI is InChI=1S/C64H115N11O21/c1-4-5-25-53(80)50(41-76)73-60(88)47(27-29-54(65)81)70-62(90)49(31-33-75(2)3)72-64(92)52(43-78)74-61(89)48(28-30-55(66)82)71-63(91)51(42-77)69-56(83)40-68-58(85)45-96-39-37-94-35-32-67-57(84)44-95-38-36-93-34-22-24-46(79)23-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-26-59(86)87/h47-52,76-78H,4-45H2,1-3H3,(H2,65,81)(H2,66,82)(H,67,84)(H,68,85)(H,69,83)(H,70,90)(H,71,91)(H,72,92)(H,73,88)(H,74,89)(H,86,87)/t47-,48-,49-,50-,51+,52-/m0/s1.

What are the key properties of 23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid?

23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid has a molecular weight of 1374.68 g/mol, XLogP of -1.13, 65 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 23-[2-[2-[2-[2-[2-[[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-oxoheptan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-(dimethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-20-oxotricosanoic acid is sourced from PubChem (CID 59149310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).