6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide

C30H39N7O10 — CID 170031766

About 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide

6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide (PubChem CID 170031766) has the molecular formula C30H39N7O10 and a molecular weight of 657.68 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide.

Molecular Properties

• Compound Name: 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide
• PubChem CID: 170031766
• Molecular Formula: C30H39N7O10
• Molecular Weight: 657.68 g/mol
• Exact Mass: 657.28
• IUPAC Name: 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide
• SMILES: O=C(CCCCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCOC1OCCNC1=O
• InChI: InChI=1S/C30H39N7O10/c38-22(9-5-2-6-13-37-26(42)10-11-27(37)43)32-16-23(39)33-18-25(41)36-21(15-20-7-3-1-4-8-20)28(44)34-17-24(40)35-19-47-30-29(45)31-12-14-46-30/h1,3-4,7-8,10-11,21,30H,2,5-6,9,12-19H2,(H,31,45)(H,32,38)(H,33,39)(H,34,44)(H,35,40)(H,36,41)/t21-,30?/m0/s1
• InChIKey: WMEZDRFMIWHLHT-UHWFRNQFSA-N
• XLogP: -2.89
• TPSA: 230.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.68
LogP ≤ 5	-2.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

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': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide?

The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide (CID 170031766) is 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide.

What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide?

The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide is O=C(CCCCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCOC1OCCNC1=O.

What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide?

The InChIKey is WMEZDRFMIWHLHT-UHWFRNQFSA-N. The full InChI is InChI=1S/C30H39N7O10/c38-22(9-5-2-6-13-37-26(42)10-11-27(37)43)32-16-23(39)33-18-25(41)36-21(15-20-7-3-1-4-8-20)28(44)34-17-24(40)35-19-47-30-29(45)31-12-14-46-30/h1,3-4,7-8,10-11,21,30H,2,5-6,9,12-19H2,(H,31,45)(H,32,38)(H,33,39)(H,34,44)(H,35,40)(H,36,41)/t21-,30?/m0/s1.

What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide?

6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide has a molecular weight of 657.68 g/mol, XLogP of -2.89, 19 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(3-oxomorpholin-2-yl)oxymethylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]ethyl]hexanamide is sourced from PubChem (CID 170031766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).