(βS)-3-[(1S)-1-Amino-2-hydroxyethyl]-β-[[[ethyl(phenylmethyl)amino]carbonyl]amino]-1,2,4-oxadiazole-5-propanamide - CAS 2007110-48-5
Catalog: |
BB061419 |
Product Name: |
(βS)-3-[(1S)-1-Amino-2-hydroxyethyl]-β-[[[ethyl(phenylmethyl)amino]carbonyl]amino]-1,2,4-oxadiazole-5-propanamide |
CAS: |
2007110-48-5 |
Synonyms: |
1,2,4-Oxadiazole-5-propanamide, 3-[(1S)-1-amino-2-hydroxyethyl]-beta-[[[ethyl(phenylmethyl)amino]carbonyl]amino]-, (betaS)-; 3-[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-3-[[benzyl(ethyl)carbamoyl]amino]propanamide |
IUPAC Name: | 3-[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-3-[[benzyl(ethyl)carbamoyl]amino]propanamide |
Description: | (βS)-3-[(1S)-1-Amino-2-hydroxyethyl]-β-[[[ethyl(phenylmethyl)amino]carbonyl]amino]-1,2,4-oxadiazole-5-propanamide, can be used in synthesis of chemical compounds such as immunomodulators. |
Molecular Weight: | 376.41 |
Molecular Formula: | C17H24N6O4 |
Canonical SMILES: | CCN(CC1=CC=CC=C1)C(=O)NC(CC(=O)N)C2=NC(=NO2)C(CO)N |
InChI: | InChI=1S/C17H24N6O4/c1-2-23(9-11-6-4-3-5-7-11)17(26)20-13(8-14(19)25)16-21-15(22-27-16)12(18)10-24/h3-7,12-13,24H,2,8-10,18H2,1H3,(H2,19,25)(H,20,26) |
InChI Key: | QXGZJFBWLLGTOX-UHFFFAOYSA-N |
Complexity: | 488 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 376.18590327 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 376.18590327 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 161Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.7 |
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