(2S)-2-{[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid
Structure Info
- Chemspace ID
- CSSB00025740346 (In-Stock Building Blocks)
- CAS
- 4825-86-9
- MFCD
- MFCD00133680, MFCD28988908
- IUPAC Name
- (2S)-2-{[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid
- Mol formula
- C20H19NO6
- Mol weight
- 369 Da
- Catalog Number(s)
- 119125, 4825-86-9, 8952AJ, AA01CBS2, ACM4825869, AD264150, AG01CBUU, AKOS030242138, APS4825869, APS4825869A, AW54654, BBF-04064, BIA-O1196, BS-18721, CSC025740346, D765427, FO26490, G12363, JH308445, M33065, NP-012031, O148500, T124797
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.01
- Heavy atoms count
- 27
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 113
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 3
![Chemical structure of (2S)-2-{[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid (C20H19NO6) - CSSB00025740346](/st/structure/200/2cfa244c6f902cd5c2fd68a17c061c7c/C%255BC%2540%2540H%255D1CC2%253DCC%253DC%2528C%2528%253DO%2529N%255BC%2540%2540H%255D%2528CC3%253DCC%253DCC%253DC3%2529C%2528O%2529%253DO%2529C%2528O%2529%253DC2C%2528%253DO%2529O1.png "C20H19NO6")
- Zoom the structure
- CSSB00025740346
Items Overall 6 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Angene US | 10 days | United States To: | 98 | 1 mg | 281.70 | |
| Angene US | 10 days | United States To: | 98 | 5 mg | 916.20 | |
Description: N-[[(3R)-3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine; CAS: 4825-86-9 | ||||||
| AA BLOCKS | 12 days | United States To: | 90 | 1 mg | 177.10 | |
| AA BLOCKS | 12 days | United States To: | 90 | 5 mg | 871.20 | |
Description: N-[[(3R)-3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine; CAS: 4825-86-9 | ||||||
| Advanced ChemBlocks CN | 40 days | China To: | 98 | 5 mg | 290.00 | |
| Advanced ChemBlocks CN | 40 days | China To: | 98 | 25 mg | 955.00 | |
Description: Ochratoxin B; CAS: 4825-86-9 | ||||||
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Substructure Analogs
![Chemical structure of ethyl (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoate - CSSB00102657660](/st/structure/200/e691d8b22fd16a756d21e814092dd612/CCOC%2528%253DO%2529%255BC%2540H%255D%2528CC1%253DCC%253DCC%253DC1%2529NC%2528%253DO%2529C1%253DCC%2528Cl%2529%253DC2C%255BC%2540%2540H%255D%2528C%2529OC%2528%253DO%2529C2%253DC1O.png)
Similarity Analogs
![Chemical structure of (2S)-2-{[(3S)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid - CSSB00159259978](/st/structure/200/c201fe8326e107948cd765f8f9a6c0de/C%255BC%2540H%255D1CC2%253DCC%253DC%2528C%2528%253DO%2529N%255BC%2540%2540H%255D%2528CC3%253DCC%253DCC%253DC3%2529C%2528O%2529%253DO%2529C%2528O%2529%253DC2C%2528%253DO%2529O1.png)
![Chemical structure of 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)formamido]-3-phenylpropanoic acid - CSSB00102462704](/st/structure/200/7cbbd2ab01c81e452c09f07d25a81cb3/CC1CC2%253DC%2528Cl%2529C%253DC%2528C%2528%253DO%2529NC%2528CC3%253DCC%253DCC%253DC3%2529C%2528O%2529%253DO%2529C%2528O%2529%253DC2C%2528%253DO%2529O1.png)
![Chemical structure of rel-(2R)-2-[(2,4-dichlorophenyl)formamido]-3-phenylpropanoic acid - CSSB02516457505](/st/structure/200/80e559423e045e478a0e7b973be4d426/OC%2528%253DO%2529%255BC%2540%2540H%255D%2528CC1%253DCC%253DCC%253DC1%2529NC%2528%253DO%2529C1%253DC%2528Cl%2529C%253DC%2528Cl%2529C%253DC1%2B%257Co1%253A3%252Cr%257C.png)
![Chemical structure of 2-[(2,4-dichlorophenyl)formamido]-3-phenylpropanoic acid - CSSB00000700027](/st/structure/200/aaf7a6cc58aa6fe98ff0ca717698a46b/OC%2528%253DO%2529C%2528CC1%253DCC%253DCC%253DC1%2529NC%2528%253DO%2529C1%253DCC%253DC%2528Cl%2529C%253DC1Cl.png)
![Chemical structure of (2R)-2-[(2,4-dichlorophenyl)formamido]-3-phenylpropanoic acid - CSSB00084904440](/st/structure/200/8b6c896aafb3d15e33a11457ad1f86bd/OC%2528%253DO%2529%255BC%2540%2540H%255D%2528CC1%253DCC%253DCC%253DC1%2529NC%2528%253DO%2529C1%253DCC%253DC%2528Cl%2529C%253DC1Cl.png)
