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176655-57-5 | Des(isopropylthiazolyl) Ritonavir
CAS No: 176655-57-5 Catalog No: AG00ADKL MDL No:
Product Description
Catalog Number:
AG00ADKL
Chemical Name:
Des(isopropylthiazolyl) Ritonavir
CAS Number:
176655-57-5
IUPAC Name:
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-(methylcarbamoylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
InChI:
InChI=1S/C30H39N5O5S/c1-20(2)27(35-29(38)31-3)28(37)33-23(14-21-10-6-4-7-11-21)16-26(36)25(15-22-12-8-5-9-13-22)34-30(39)40-18-24-17-32-19-41-24/h4-13,17,19-20,23,25-27,36H,14-16,18H2,1-3H3,(H,33,37)(H,34,39)(H2,31,35,38)/t23-,25-,26-,27-/m0/s1
InChI Key:
UVQJGJZZUNOHCX-MNUOIFNESA-N
Properties
Complexity:
806
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
581.267g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
581.732g/mol
Monoisotopic Mass:
581.267g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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