CAS 162540-90-1 | 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-1 1-oxo-3-[[4-[2-(2-oxo-3-oxazolidinyl)ethoxy]phenyl]methyl]-9-(phenylme thyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]- | CAS Number 162540-90-1

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162540-90-1 | 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-1 1-oxo-3-[[4-[2-(2-oxo-3-oxazolidinyl)ethoxy]phenyl]methyl]-9-(phenylme thyl)-, 1,1-dimethylethyl ester, [3S-(3R,4S,8S,9R)]-

CAS No: 162540-90-1 Catalog No: AG00B9GX MDL No:

Product Description

Catalog Number:

AG00B9GX

Chemical Name:

12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-1 1-oxo-3-[[4-[2-(2-oxo-3-oxazolidinyl)ethoxy]phenyl]methyl]-9-(phenylme thyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-

CAS Number:

162540-90-1

IUPAC Name:

tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamate

InChI:

InChI=1S/C35H52N4O9/c1-34(2,3)47-31(42)37-27(20-24-10-8-7-9-11-24)29(40)22-36-23-30(41)28(38-32(43)48-35(4,5)6)21-25-12-14-26(15-13-25)45-18-16-39-17-19-46-33(39)44/h7-15,27-30,36,40-41H,16-23H2,1-6H3,(H,37,42)(H,38,43)/t27-,28-,29+,30+/m0/s1

InChI Key:

SGPZLDNIZDMEIK-VZNYXHRGSA-N

Properties

Complexity:

988

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

672.373g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

672.82g/mol

Monoisotopic Mass:

672.373g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

168A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

Literature

Title	Journal
Aminodiol HIV protease inhibitors. Synthesis and structure-activity relationships of P1/P1' compounds: correlation between lipophilicity and cytotoxicity.	Journal of medicinal chemistry 19960510