CRT

Chemical Information
| CAS Number | 2414254-70-7 |
| PubChem CID | 169450595 |
| IUPAC Name | (6S,9S,12S,15R,20R,23S,26S,29S)-15-amino-6-[(2S)-butan-2-yl]-12-[3-(diaminomethylideneamino)propyl]-9-[(1R)-1-hydroxyethyl]-26-(hydroxymethyl)-2,5,8,11,14,22,25,28-octaoxo-23-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24,27-octazabicyclo[27.3.0]dotriacontane-20-carboxylic acid |
| Molecular Formula | C37H64N12O12S2 |
| Molecular Weight | 933.1 |
| XLogP | -4.9 |
| Topological Polar Surface Area | 443 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 63 |
| Formal Charge | 0 |
| Complexity | 1670 |
| Property | Value |
|---|---|
| Molecular Weight | 933.1 |
| XLogP3 | -4.9 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 10 |
| Exact Mass | 932.42080787 |
| Monoisotopic Mass | 932.42080787 |
| Topological Polar Surface Area | 443 Ų |
| Heavy Atom Count | 63 |
| Formal Charge | 0 |
| Complexity | 1670 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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