5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide

C25H38N6O10S — CID 130368088

IUPAC5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide
SMILESCC(=O)CNC(=O)CNC(=O)CNC(=O)CCCC(=O)CCC(=O)CNC(=O)CNC(=O)CNC(=O)CSCC(C)=O
InChIInChI=1S/C25H38N6O10S/c1-16(32)8-26-21(37)11-29-23(39)10-28-20(36)5-3-4-18(34)6-7-19(35)9-27-22(38)12-30-24(40)13-31-25(41)15-42-14-17(2)33/h3-15H2,1-2H3,(H,26,37)(H,27,38)(H,28,36)(H,29,39)(H,30,40)(H,31,41)
InChIKeyJRDYPXJDRLWOBI-UHFFFAOYSA-N
MW614.68 g/mol
LogP-3.32
Rot. Bonds23

About 5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide

5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide (PubChem CID 130368088) has the molecular formula C25H38N6O10S and a molecular weight of 614.68 g/mol. Its IUPAC name is 5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide.

Molecular Properties

Compound Name5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide
PubChem CID130368088
Molecular FormulaC25H38N6O10S
Molecular Weight614.68 g/mol
Exact Mass614.24
IUPAC Name5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide
SMILESCC(=O)CNC(=O)CNC(=O)CNC(=O)CCCC(=O)CCC(=O)CNC(=O)CNC(=O)CNC(=O)CSCC(C)=O
InChIInChI=1S/C25H38N6O10S/c1-16(32)8-26-21(37)11-29-23(39)10-28-20(36)5-3-4-18(34)6-7-19(35)9-27-22(38)12-30-24(40)13-31-25(41)15-42-14-17(2)33/h3-15H2,1-2H3,(H,26,37)(H,27,38)(H,28,36)(H,29,39)(H,30,40)(H,31,41)
InChIKeyJRDYPXJDRLWOBI-UHFFFAOYSA-N
XLogP-3.32
TPSA242.88 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500614.68
LogP ≤ 5-3.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide with MolForge

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Related Compounds

N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide
CID 21339517
2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide
CID 170359660
nonadecane-2,6,10,14,18-pentone
CID 539058
tricosane-2,6,10,14,18,22-hexone
CID 537144
methyl 6-oxo-6-(2-oxopropylamino)hexanoate
CID 166976916
N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide
CID 162006566
N-(3-hydroxy-2-oxopropyl)pentanamide
CID 57150285
2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide
CID 170359661
2-bromo-N-(2-oxopropyl)acetamide
CID 21339518
methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate
CID 157367237
5-(3-carboxypropanoylamino)-4-oxopentanoic acid
CID 102302142
13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen
CID 169209715

Frequently Asked Questions

What is the IUPAC name of 5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide?
The IUPAC name of 5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide (CID 130368088) is 5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide.
What is the SMILES notation for 5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide?
The canonical SMILES for 5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide is CC(=O)CNC(=O)CNC(=O)CNC(=O)CCCC(=O)CCC(=O)CNC(=O)CNC(=O)CNC(=O)CSCC(C)=O.
What is the InChIKey of 5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide?
The InChIKey is JRDYPXJDRLWOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O10S/c1-16(32)8-26-21(37)11-29-23(39)10-28-20(36)5-3-4-18(34)6-7-19(35)9-27-22(38)12-30-24(40)13-31-25(41)15-42-14-17(2)33/h3-15H2,1-2H3,(H,26,37)(H,27,38)(H,28,36)(H,29,39)(H,30,40)(H,31,41).
What are the key properties of 5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide?
5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide has a molecular weight of 614.68 g/mol, XLogP of -3.32, 23 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide is sourced from PubChem (CID 130368088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).