200,000+ products from a single source!
sales@angenechem.com
204907-85-7 | L-Iditol, 1,2,5,6-tetradeoxy-1,6-diphenyl-2,5-bis[[N-[(phenylmethoxy)carbonyl]-L-alanyl-L-valyl]amino]-
CAS No: 204907-85-7 Catalog No: AG0029RJ MDL No:
Product Description
Catalog Number:
AG0029RJ
Chemical Name:
L-Iditol, 1,2,5,6-tetradeoxy-1,6-diphenyl-2,5-bis[[N-[(phenylmethoxy)carbonyl]-L-alanyl-L-valyl]amino]-
CAS Number:
204907-85-7
Molecular Formula:
C50H64N6O10
Molecular Weight:
909.0774
IUPAC Name:
benzyl N-[(2S)-1-[[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C50H64N6O10/c1-31(2)41(55-45(59)33(5)51-49(63)65-29-37-23-15-9-16-24-37)47(61)53-39(27-35-19-11-7-12-20-35)43(57)44(58)40(28-36-21-13-8-14-22-36)54-48(62)42(32(3)4)56-46(60)34(6)52-50(64)66-30-38-25-17-10-18-26-38/h7-26,31-34,39-44,57-58H,27-30H2,1-6H3,(H,51,63)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,60)/t33-,34-,39-,40-,41-,42-,43+,44+/m0/s1
InChI Key:
BJJPNOGMLLUCER-KUTQPOQPSA-N
SMILES:
O[C@@H]([C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C)O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C
Properties
Complexity:
1400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
908.468g/mol
Formal Charge:
0
Heavy Atom Count:
66
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
909.094g/mol
Monoisotopic Mass:
908.468g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
234A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
Literature
| Title | Journal |
|---|---|
| Structural and biochemical characterization of the inhibitor complexes of xenotropic murine leukemia virus-related virus protease. | The FEBS journal 20111101 |
| Expedient solid-phase synthesis of both symmetric and asymmetric diol libraries targeting aspartic proteases. | Bioorganic & medicinal chemistry letters 20090715 |
| A copper(I)-catalyzed 1,2,3-triazole azide-alkyne click compound is a potent inhibitor of a multidrug-resistant HIV-1 protease variant. | Journal of medicinal chemistry 20081023 |
| Characterization and inhibition of SARS-coronavirus main protease. | Current topics in medicinal chemistry 20060101 |
| Design and synthesis of broad-based mono- and bi- cyclic inhibitors of FIV and HIV proteases. | Bioorganic & medicinal chemistry 20030501 |
| Structure-activity studies of FIV and HIV protease inhibitors containing allophenylnorstatine. | Bioorganic & medicinal chemistry 20010501 |
| Design, synthesis, and biological evaluation of HIV/FIV protease inhibitors incorporating a conformationally constrained macrocycle with a small P3' residue. | Bioorganic & medicinal chemistry letters 20010122 |
| Analysis of the S3 and S3' subsite specificities of feline immunodeficiency virus (FIV) protease: development of a broad-based protease inhibitor efficacious against FIV, SIV, and HIV in vitro and ex vivo. | Proceedings of the National Academy of Sciences of the United States of America 19980203 |
Related Products
© 2019 Angene International Limited. All rights Reserved.