(4S)-4-[(2S)-3-carboxy-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetamidopropanamido]propanamido]-3-methylbutanamido]propanamido]-4-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-methylbutanamido]-4-methylpentanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]-4-methylpentanamido]propanoyl]pyrrolidin-2-yl]formamido}propanamido]-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
Structure Info
- Chemspace ID
- CSSB14929137594 (In-Stock Building Blocks)
- MFCD
- MFCD31692293
- IUPAC Name
- (4S)-4-[(2S)-3-carboxy-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetamidopropanamido]propanamido]-3-methylbutanamido]propanamido]-4-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-methylbutanamido]-4-methylpentanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]-4-methylpentanamido]propanoyl]pyrrolidin-2-yl]formamido}propanamido]-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
- Mol formula
- C94H158N20O27
- Mol weight
- 2000 Da
- Catalog Number(s)
- AA01E70T, AG01E73L, AX41801, HY-P5936, ST01E8KD, T80531, TX01E899
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -2.02
- Heavy atoms count
- 141
- Rotatable bond count
- 60
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.744
- Polar surface area (Å)
- 693
- Hydrogen bond acceptors count
- 27
- Hydrogen bond donors count
- 21
![Chemical structure of (4S)-4-[(2S)-3-carboxy-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetamidopropanamido]propanamido]-3-methylbutanamido]propanamido]-4-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-methylbutanamido]-4-methylpentanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]-4-methylpentanamido]propanoyl]pyrrolidin-2-yl]formamido}propanamido]-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid (C94H158N20O27) - CSSB14929137594](/st/structure/200/7c6d222a4c9985b05d360dc60f07b03c/CC%2528C%2529C%255BC%2540H%255D%2528NC%2528%253DO%2529%255BC%2540H%255D%2528C%2529NC%2528%253DO%2529%255BC%2540H%255D%2528CC%2528C%2529C%2529NC%2528%253DO%2529%255BC%2540H%255D%2528CC%2528C%2529C%2529NC%2528%253DO%2529%255BC%2540%2540H%255D%2528NC%2528%253DO%2529%255BC%2540H%255D%2528C%2529NC%2528%253DO%2529%255BC%2540%2540H%255D1CCCN1C%2528%253DO%2529%255BC%2540H%255D%2528CC%2528C%2529C%2529NC%2528%253DO%2529%255BC%2540H%255D%2528CC%2528C%2529C%2529NC%2528%253DO%2529%255BC%2540H%255D%2528C%2529NC%2528%253DO%2529%255BC%2540%2540H%255D%2528NC%2528%253DO%2529%255BC%2540H%255D%2528C%2529NC%2528%253DO%2529%255BC%2540H%255D%2528C%2529NC%2528C%2529%253DO%2529C%2528C%2529C%2529C%2528C%2529C%2529C%2528%253DO%2529N%255BC%2540%2540H%255D%2528CC%2528C%2529C%2529C%2528%253DO%2529N%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N1CCC%255BC%2540H%255D1C%2528%253DO%2529N%255BC%2540%2540H%255D%2528CC%2528O%2529%253DO%2529C%2528%253DO%2529N%255BC%2540%2540H%255D%2528CCC%2528O%2529%253DO%2529C%2528%253DO%2529N%255BC%2540%2540H%255D%2528C%2528C%2529C%2529C%2528%253DO%2529N%255BC%2540%2540H%255D%2528CC%2528O%2529%253DO%2529C%253DO.png "C94H158N20O27")
- Zoom the structure
- CSSB14929137594
Items Overall 10 items from 5 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 3 days | United States To: | 90 | 1 mg | 159.50 | |
| 1st Scientific LLC | 3 days | United States To: | 90 | 5 mg | 691.90 | |
Description: Cell-permeable Caspase-3 Inhibitor I trifluoroacetate salt Ac-Ala-Ala-Val-Ala-Leu-Leu-Pro-Ala-Val-Leu-Leu-Ala-Leu-Leu-Ala-Pro-Asp-Glu-Val-Asp-aldehyde (pseudo acid) trifluoroacetate salt; CAS: 201608-15-3 | ||||||
| Angene US | 10 days | United States To: | 90 | 1 mg | 203.40 | |
| Angene US | 10 days | United States To: | 90 | 5 mg | 826.20 | |
Description: Cell-permeable Caspase-3 Inhibitor I trifluoroacetate salt Ac-Ala-Ala-Val-Ala-Leu-Leu-Pro-Ala-Val-Leu-Leu-Ala-Leu-Leu-Ala-Pro-Asp-Glu-Val-Asp-aldehyde (pseudo acid) trifluoroacetate salt; CAS: 201608-15-3 | ||||||
| AA BLOCKS | 12 days | United States To: | 90 | 1 mg | 201.30 | |
| AA BLOCKS | 12 days | United States To: | 90 | 5 mg | 793.10 | |
Description: Cell-permeable Caspase-3 Inhibitor I trifluoroacetate salt Ac-Ala-Ala-Val-Ala-Leu-Leu-Pro-Ala-Val-Leu-Leu-Ala-Leu-Leu-Ala-Pro-Asp-Glu-Val-Asp-aldehyde (pseudo acid) trifluoroacetate salt; CAS: 201608-15-3 | ||||||
| A2B Chem | 12 days | United States To: | 90 | 1 mg | 208.15 | |
| A2B Chem | 12 days | United States To: | 90 | 5 mg | 825.70 | |
Description: Cell-permeable Caspase-3 Inhibitor I trifluoroacetate salt Ac-Ala-Ala-Val-Ala-Leu-Leu-Pro-Ala-Val-Leu-Leu-Ala-Leu-Leu-Ala-Pro-Asp-Glu-Val-Asp-aldehyde (pseudo acid) trifluoroacetate salt; CAS: 201608-15-3 | ||||||
| 10X CHEM | TBD | United States To: | 90 | 1 mg | 176.00 | |
| 10X CHEM | TBD | United States To: | 90 | 5 mg | 708.40 | |
Description: Cell-permeable Caspase-3 Inhibitor I trifluoroacetate salt Ac-Ala-Ala-Val-Ala-Leu-Leu-Pro-Ala-Val-Leu-Leu-Ala-Leu-Leu-Ala-Pro-Asp-Glu-Val-Asp-aldehyde (pseudo acid) trifluoroacetate salt; CAS: 201608-15-3 | ||||||
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