(4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid

C24H28N2O8 — CID 153186606

IUPAC(4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid
SMILESNC(=O)[C@H](CCC(=O)O)CC(=O)[C@H](CCC(=O)O)NC(=O)CCc1coc(-c2ccccc2)c1
InChIInChI=1S/C24H28N2O8/c25-24(33)17(7-10-22(29)30)13-19(27)18(8-11-23(31)32)26-21(28)9-6-15-12-20(34-14-15)16-4-2-1-3-5-16/h1-5,12,14,17-18H,6-11,13H2,(H2,25,33)(H,26,28)(H,29,30)(H,31,32)/t17-,18+/m1/s1
InChIKeyWHEXQXMDXHQVRT-MSOLQXFVSA-N
MW472.49 g/mol
LogP2.15
Rot. Bonds15

About (4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid

(4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid (PubChem CID 153186606) has the molecular formula C24H28N2O8 and a molecular weight of 472.49 g/mol. Its IUPAC name is (4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid.

Molecular Properties

Compound Name(4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid
PubChem CID153186606
Molecular FormulaC24H28N2O8
Molecular Weight472.49 g/mol
Exact Mass472.18
IUPAC Name(4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid
SMILESNC(=O)[C@H](CCC(=O)O)CC(=O)[C@H](CCC(=O)O)NC(=O)CCc1coc(-c2ccccc2)c1
InChIInChI=1S/C24H28N2O8/c25-24(33)17(7-10-22(29)30)13-19(27)18(8-11-23(31)32)26-21(28)9-6-15-12-20(34-14-15)16-4-2-1-3-5-16/h1-5,12,14,17-18H,6-11,13H2,(H2,25,33)(H,26,28)(H,29,30)(H,31,32)/t17-,18+/m1/s1
InChIKeyWHEXQXMDXHQVRT-MSOLQXFVSA-N
XLogP2.15
TPSA177.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,7R)-7-carbamoyl-5-oxo-4-[3-[4-(4-phenylphenyl)phenyl]propanoylamino]decanedioic acid
CID 147394254
(4S)-8-amino-7-(hydroxymethyl)-5,8-dioxo-4-[3-[4-(4-phenylphenyl)phenyl]propanoylamino]octanoic acid
CID 158027611
(4S,7R)-11-amino-7-carbamoyl-5-oxo-4-[3-(4-phenylphenyl)propanoylamino]undecanoic acid
CID 152872714
(4S,7R)-10-amino-7-carbamoyl-5,10-dioxo-4-[3-[4-(4-phenylthiophen-2-yl)phenyl]propanoylamino]decanoic acid;(4S,7R)-7-carbamoyl-5-oxo-4-[3-[4-(4-phenylthiophen-2-yl)phenyl]propanoylamino]decanedioic acid;(4S,7S)-7-carbamoyl-5-oxo-4-[3-[4-(4-phenylthiophen-2-yl)phenyl]propanoylamino]decanedioic acid
CID 157228668
(4R,7S)-4-carbamoyl-6-oxo-7-[3-(4-phenylphenyl)propanoylamino]nonanoic acid;formic acid
CID 157378160
(4S,7R)-8-amino-7-methyl-5,8-dioxo-4-[3-[4-(4-phenylphenyl)phenyl]propanoylamino]octanoic acid
CID 160753422
(4S,7R)-7-carbamoyl-5-oxo-4-[3-(1-phenyltriazol-4-yl)propanoylamino]decanedioic acid
CID 159563641
(4S)-5-amino-5-oxo-4-[3-[4-(4-phenylphenyl)phenyl]propanoylamino]pentanoic acid
CID 57336493
5-amino-4-[[(2S)-4-carboxy-2-[3-[4-(4-phenylphenyl)phenyl]propanoylamino]butanoyl]amino]-5-oxopentanoic acid
CID 130215259
(4S,7R)-7-acetyl-4-[3-[4-[3-(hydroxymethyl)phenyl]phenyl]propanoylamino]-5-oxodecanedioic acid
CID 159460749
(4R,7S)-4-carbamoyl-8-(1H-imidazol-5-yl)-6-oxo-7-[3-[4-(4-phenylthiophen-2-yl)phenyl]propanoylamino]octanoic acid
CID 153273103
5-amino-4-[[4-carboxy-2-[3-(4-pyrrol-1-ylphenyl)propanoylamino]butanoyl]amino]-5-oxopentanoic acid
CID 71075673

Frequently Asked Questions

What is the IUPAC name of (4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid?
The IUPAC name of (4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid (CID 153186606) is (4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid.
What is the SMILES notation for (4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid?
The canonical SMILES for (4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid is NC(=O)[C@H](CCC(=O)O)CC(=O)[C@H](CCC(=O)O)NC(=O)CCc1coc(-c2ccccc2)c1.
What is the InChIKey of (4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid?
The InChIKey is WHEXQXMDXHQVRT-MSOLQXFVSA-N. The full InChI is InChI=1S/C24H28N2O8/c25-24(33)17(7-10-22(29)30)13-19(27)18(8-11-23(31)32)26-21(28)9-6-15-12-20(34-14-15)16-4-2-1-3-5-16/h1-5,12,14,17-18H,6-11,13H2,(H2,25,33)(H,26,28)(H,29,30)(H,31,32)/t17-,18+/m1/s1.
What are the key properties of (4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid?
(4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid has a molecular weight of 472.49 g/mol, XLogP of 2.15, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R)-7-carbamoyl-5-oxo-4-[3-(5-phenylfuran-3-yl)propanoylamino]decanedioic acid is sourced from PubChem (CID 153186606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).