(7S,11S,12R,13S,14R,15R,16R,17S,18S)-13-(acetyloxy)-1'-({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidin]-1(31),2,4,9,19,21,25,29-octaen-1'-ium chloride
Structure Info
- Chemspace ID
- CSSB20958670923 (In-Stock Building Blocks)
- MFCD
- MFCD00869355
- IUPAC Name
- (7S,11S,12R,13S,14R,15R,16R,17S,18S)-13-(acetyloxy)-1'-({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidin]-1(31),2,4,9,19,21,25,29-octaen-1'-ium chloride
- Mol formula
- C74H101ClN10O17
- Mol weight
- 1438 Da
- Catalog Number(s)
- AA01V4LX, AG01V4OP, AR01V5DP, BF31825, EC01V6UH, ST01V65H, TX01V5UD
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.15
- Heavy atoms count
- 102
- Rotatable bond count
- 23
- Number of rings
- 8
- Carbon bond saturation, Fsp3
- 0.554
- Polar surface area (Å)
- 382
- Hydrogen bond acceptors count
- 18
- Hydrogen bond donors count
- 10
![Chemical structure of (7S,11S,12R,13S,14R,15R,16R,17S,18S)-13-(acetyloxy)-1'-({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidin]-1(31),2,4,9,19,21,25,29-octaen-1'-ium chloride (C74H101ClN10O17) - CSSB20958670923](/st/structure/200/2da9158021b57d4493c787aa36c70a70/%255BCl-%255D.CO%255BC%2540H%255D1C%253DCO%255BC%2540%2540%255D2%2528C%2529OC3%253DC%2528C2%253DO%2529C2%253DC%2528C%2528O%2529%253DC3C%2529C%2528%253DO%2529C%2528NC%2528%253DO%2529C%2528C%2529%253DCC%253DC%255BC%2540H%255D%2528C%2529%255BC%2540H%255D%2528O%2529%255BC%2540%2540H%255D%2528C%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540%2540H%255D%2528C%2529%255BC%2540H%255D%2528OC%2528C%2529%253DO%2529%255BC%2540%2540H%255D1C%2529%253DC1NC3%2528CC%255BN%252B%255D%2528CC%2528C%2529C%2529%2528CC4%253DCC%253DC%2528NC%2528%253DO%2529%255BC%2540H%255D%2528CCCNC%2528N%2529%253DO%2529NC%2528%253DO%2529%255BC%2540%2540H%255D%2528NC%2528%253DO%2529CCCCCN5C%2528%253DO%2529C%253DCC5%253DO%2529C%2528C%2529C%2529C%253DC4%2529CC3%2529N%253DC21.png "C74H101ClN10O17")
- Zoom the structure
- CSSB20958670923
Items Overall 12 items from 6 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 7 days | United States To: | 98 | 5 mg | 1,029.60 | |
| 1st Scientific LLC | 7 days | United States To: | 98 | 10 mg | 1,623.60 | |
Description: MC-Val-Cit-PAB-rifabutin; CAS: 2055900-34-8 | ||||||
| Angene International Limited | 10 days | China To: | 95 | 1 mg | 639.90 | |
| Angene International Limited | 10 days | China To: | 95 | 5 mg | 1,787.40 | |
Description: MC-Val-Cit-PAB-rifabutin; CAS: 2055900-34-8 | ||||||
| Aaron Chemicals LLC | 12 days | United States To: | 95 | 1 mg | 566.95 | |
| Aaron Chemicals LLC | 12 days | United States To: | 95 | 5 mg | 1,592.75 | |
| A2B Chem | 12 days | United States To: | 98 | 5 mg | 1,194.85 | |
| A2B Chem | 12 days | United States To: | 98 | 10 mg | 1,884.85 | |
Description: MC-Val-Cit-PAB-rifabutin; CAS: 2055900-34-8 | ||||||
| Accel Scientific, S.L. | 20 days | China To: | 95 | 1 mg | 1,002.10 | |
| Accel Scientific, S.L. | 20 days | China To: | 95 | 5 mg | 2,797.30 | |
Description: MC-Val-Cit-PAB-rifabutin; CAS: 2055900-34-8 | ||||||
| 10X CHEM | TBD | United States To: | 98 | 5 mg | 1,060.40 | |
| 10X CHEM | TBD | United States To: | 98 | 10 mg | 1,674.20 | |
Description: MC-Val-Cit-PAB-rifabutin; CAS: 2055900-34-8 | ||||||
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