(2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate

C50H73N9O17 — CID 143784429

About (2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate

(2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate (PubChem CID 143784429) has the molecular formula C50H73N9O17 and a molecular weight of 1072.18 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate
• PubChem CID: 143784429
• Molecular Formula: C50H73N9O17
• Molecular Weight: 1072.18 g/mol
• Exact Mass: 1071.51
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate
• SMILES: CCC(=O)NCCCC[C@H](NC(=O)C(CCCCNC(=O)CONC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)COCCOCCNC=O)C(N)=O.CCOCCOCCNC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C39H55N7O11.C11H18N2O6/c1-2-34(48)42-17-9-7-15-32(37(40)51)45-38(52)33(44-36(50)24-55-22-21-54-20-19-41-26-47)16-8-10-18-43-35(49)25-57-46-39(53)56-23-31-29-13-5-3-11-27(29)28-12-4-6-14-30(28)31;1-2-17-7-8-18-6-5-12-11(16)19-13-9(14)3-4-10(13)15/h3-6,11-14,26,31-33H,2,7-10,15-25H2,1H3,(H2,40,51)(H,41,47)(H,42,48)(H,43,49)(H,44,50)(H,45,52)(H,46,53);2-8H2,1H3,(H,12,16)/t32-,33?;/m0./s1
• InChIKey: NCVXKLWBOWUAHI-RMNUZSAVSA-N
• XLogP: 0.50
• TPSA: 348.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 37
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1072.18
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate (CID 143784429) is (2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate is CCC(=O)NCCCC[C@H](NC(=O)C(CCCCNC(=O)CONC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)COCCOCCNC=O)C(N)=O.CCOCCOCCNC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate?

The InChIKey is NCVXKLWBOWUAHI-RMNUZSAVSA-N. The full InChI is InChI=1S/C39H55N7O11.C11H18N2O6/c1-2-34(48)42-17-9-7-15-32(37(40)51)45-38(52)33(44-36(50)24-55-22-21-54-20-19-41-26-47)16-8-10-18-43-35(49)25-57-46-39(53)56-23-31-29-13-5-3-11-27(29)28-12-4-6-14-30(28)31;1-2-17-7-8-18-6-5-12-11(16)19-13-9(14)3-4-10(13)15/h3-6,11-14,26,31-33H,2,7-10,15-25H2,1H3,(H2,40,51)(H,41,47)(H,42,48)(H,43,49)(H,44,50)(H,45,52)(H,46,53);2-8H2,1H3,(H,12,16)/t32-,33?;/m0./s1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate?

(2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate has a molecular weight of 1072.18 g/mol, XLogP of 0.50, 37 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) N-[2-(2-ethoxyethoxy)ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[6-[[(2S)-1-amino-1-oxo-6-(propanoylamino)hexan-2-yl]amino]-5-[[2-[2-(2-formamidoethoxy)ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate is sourced from PubChem (CID 143784429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).