200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 167826-61-1
167826-61-1 | 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(2-naphthalenylmethyl)-1,3-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS No: 167826-61-1 Catalog No: AG001XMV MDL No:
Product Description
Catalog Number:
AG001XMV
Chemical Name:
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(2-naphthalenylmethyl)-1,3-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS Number:
167826-61-1
Molecular Formula:
C41H38N2O3
Molecular Weight:
606.7520
IUPAC Name:
(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
InChI:
InChI=1S/C41H38N2O3/c44-39-37(25-31-19-21-33-15-7-9-17-35(33)23-31)42(27-29-11-3-1-4-12-29)41(46)43(28-30-13-5-2-6-14-30)38(40(39)45)26-32-20-22-34-16-8-10-18-36(34)24-32/h1-24,37-40,44-45H,25-28H2/t37-,38-,39+,40+/m1/s1
InChI Key:
AUTHLCQFZJFGMT-WESAGZJESA-N
SMILES:
O[C@H]1[C@@H](Cc2ccc3c(c2)cccc3)N(Cc2ccccc2)C(=O)N([C@@H]([C@@H]1O)Cc1ccc2c(c1)cccc2)Cc1ccccc1
Properties
Complexity:
887
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
606.288g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
606.766g/mol
Monoisotopic Mass:
606.288g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
Literature
| Title | Journal |
|---|---|
| Improved P1/P1' substituents for cyclic urea based HIV-1 protease inhibitors: synthesis, structure-activity relationship, and X-ray crystal structure analysis. | Journal of medicinal chemistry 19970509 |
| Preparation and structure-activity relationship of novel P1/P1'-substituted cyclic urea-based human immunodeficiency virus type-1 protease inhibitors. | Journal of medicinal chemistry 19960524 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.