benzyl {1-[16-(2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methyl-1-oxopentan-2-yl}carbamate
Chemical Structure Depiction of
benzyl {1-[16-(2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methyl-1-oxopentan-2-yl}carbamate
benzyl {1-[16-(2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methyl-1-oxopentan-2-yl}carbamate
Compound characteristics
| Compound ID: | 0864-0004 |
| Compound Name: | benzyl {1-[16-(2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methyl-1-oxopentan-2-yl}carbamate |
| Molecular Weight: | 756.94 |
| Molecular Formula: | C40 H60 N4 O10 |
| Smiles: | CCC(C)C(C(N1CCOCCOCCN(CCOCCOCC1)C(C(C(C)CC)NC(=O)OCc1ccccc1)=O)=O)NC(=O)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.874 |
| logD: | 4.874 |
| logSw: | -4.7202 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.295 |
| InChI Key: | KPCQSZYOEREFKC-UHFFFAOYSA-N |