(2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide

C33H57N3O11 — CID 159948142

IUPAC(2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide
SMILESCC(C)[C@H](CC(=O)[C@H](C(C)C)N(C)C(=O)CCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)N(C)C
InChIInChI=1S/C33H57N3O11/c1-25(2)27(33(41)34(5)6)24-28(37)32(26(3)4)35(7)29(38)10-12-42-14-16-44-18-20-46-22-23-47-21-19-45-17-15-43-13-11-36-30(39)8-9-31(36)40/h8-9,25-27,32H,10-24H2,1-7H3/t27-,32-/m0/s1
InChIKeyDUERFOFYFWZUJJ-UCGGBYDDSA-N
MW671.83 g/mol
LogP1.20
Rot. Bonds28

About (2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide

(2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide (PubChem CID 159948142) has the molecular formula C33H57N3O11 and a molecular weight of 671.83 g/mol. Its IUPAC name is (2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide.

Molecular Properties

Compound Name(2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide
PubChem CID159948142
Molecular FormulaC33H57N3O11
Molecular Weight671.83 g/mol
Exact Mass671.40
IUPAC Name(2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide
SMILESCC(C)[C@H](CC(=O)[C@H](C(C)C)N(C)C(=O)CCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)N(C)C
InChIInChI=1S/C33H57N3O11/c1-25(2)27(33(41)34(5)6)24-28(37)32(26(3)4)35(7)29(38)10-12-42-14-16-44-18-20-46-22-23-47-21-19-45-17-15-43-13-11-36-30(39)8-9-31(36)40/h8-9,25-27,32H,10-24H2,1-7H3/t27-,32-/m0/s1
InChIKeyDUERFOFYFWZUJJ-UCGGBYDDSA-N
XLogP1.20
TPSA150.45 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.83
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide with MolForge

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Related Compounds

(2S,5S)-5-[3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-6-phenyl-3-sulfanylidenehexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide
CID 159948144
1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 139443419
tert-butyl (3R,4S,5S)-4-[[(2S,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoate;deuterium monohydride;(3R,4S,5S)-4-[[(2S,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoic acid;methane
CID 165073001
[methyl(4-oxobutanoyl)amino] 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate
CID 174244463
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate
CID 77078335
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170899516
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078334
methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione
CID 158080299
3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide
CID 71127231
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-ethylpropanamide
CID 144940675
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 122549274
1-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 177233739

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide?
The IUPAC name of (2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide (CID 159948142) is (2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide.
What is the SMILES notation for (2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide?
The canonical SMILES for (2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide is CC(C)[C@H](CC(=O)[C@H](C(C)C)N(C)C(=O)CCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)N(C)C.
What is the InChIKey of (2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide?
The InChIKey is DUERFOFYFWZUJJ-UCGGBYDDSA-N. The full InChI is InChI=1S/C33H57N3O11/c1-25(2)27(33(41)34(5)6)24-28(37)32(26(3)4)35(7)29(38)10-12-42-14-16-44-18-20-46-22-23-47-21-19-45-17-15-43-13-11-36-30(39)8-9-31(36)40/h8-9,25-27,32H,10-24H2,1-7H3/t27-,32-/m0/s1.
What are the key properties of (2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide?
(2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide has a molecular weight of 671.83 g/mol, XLogP of 1.20, 28 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-N,N,6-trimethyl-4-oxo-2-propan-2-ylheptanamide is sourced from PubChem (CID 159948142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).