2-[(1E,3E,5E)-7-[(2Z)-3-[5-({4-[(4R,7S,10R,13S,16R)-16-[(2R)-2-amino-3-phenylpropanamido]-4-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-13-[(4-hydroxyphenyl)methyl]-10-[(1H-indol-3-yl)methyl]-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecan-7-yl]butyl}carbamoyl)pentyl]-1,1-dimethyl-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium
Structure Info
- Chemspace ID
- CSSB06446550926 (In-Stock Building Blocks)
- IUPAC Name
- 2-[(1E,3E,5E)-7-[(2Z)-3-[5-({4-[(4R,7S,10R,13S,16R)-16-[(2R)-2-amino-3-phenylpropanamido]-4-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-13-[(4-hydroxyphenyl)methyl]-10-[(1H-indol-3-yl)methyl]-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecan-7-yl]butyl}carbamoyl)pentyl]-1,1-dimethyl-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium
- Mol formula
- C90H106N12O13S3
- Mol weight
- 1660 Da
- Catalog Number(s)
- ArZ-UP351164, LS-1523
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.26
- Heavy atoms count
- 118
- Rotatable bond count
- 32
- Number of rings
- 11
- Carbon bond saturation, Fsp3
- 0.366
- Polar surface area (Å)
- 393
- Hydrogen bond acceptors count
- 15
- Hydrogen bond donors count
- 12
![Chemical structure of 2-[(1E,3E,5E)-7-[(2Z)-3-[5-({4-[(4R,7S,10R,13S,16R)-16-[(2R)-2-amino-3-phenylpropanamido]-4-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-13-[(4-hydroxyphenyl)methyl]-10-[(1H-indol-3-yl)methyl]-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecan-7-yl]butyl}carbamoyl)pentyl]-1,1-dimethyl-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium (C90H106N12O13S3) - CSSB06446550926](/st/structure/200/8c9f4dafce72fcf1d86351d0c536a441/C%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528NC%2528%253DO%2529%255BC%2540%2540H%255D1CSSC%255BC%2540H%255D%2528NC%2528%253DO%2529%255BC%2540H%255D%2528N%2529Cc2ccccc2%2529C%2528%253DO%2529N%255BC%2540%2540H%255D%2528Cc2ccc%2528O%2529cc2%2529C%2528%253DO%2529N%255BC%2540H%255D%2528Cc2c%255BnH%255Dc3ccccc23%2529C%2528%253DO%2529N%255BC%2540%2540H%255D%2528CCCCNC%2528%253DO%2529CCCCCN2%255CC%2528%253DC%252FC%253DC%252FC%253DC%252FC%253DC%252FC3%253D%255BN%252B%255D%2528CCCCS%2528%255BO-%255D%2529%2528%253DO%2529%253DO%2529c4ccc5ccccc5c4C3%2528C%2529C%2529C%2528C%2529%2528C%2529c3c2ccc2ccccc32%2529C%2528%253DO%2529N1%2529C%2528N%2529%253DO.png "C90H106N12O13S3")
- Zoom the structure
- CSSB06446550926
Items Overall 1 item from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Iris Biotech GmbH | 10 days | Germany To: | 90 | 1 mg | 1,297.80 | |
Description: TT-232-ICG diacetate; H-D-Phe-Cys-Tyr-D-Trp-Lys(ICG)-Cys-Thr-NH2 (disulfide bridged); MW: 1660,09 (net) g/mol | ||||||
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