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165315-96-8 | 4-Hydroxy-13,13-diMethyl-9-(1-Methylethyl)-8,11-dioxo-3,6-bis(phenylMethyl) 12-Oxa-2,7,10-triazatetradecanoic Acid 5-ThiazolylMethyl Ester
CAS No: 165315-96-8 Catalog No: AG00ADQL MDL No:
Product Description
Catalog Number:
AG00ADQL
Chemical Name:
4-Hydroxy-13,13-diMethyl-9-(1-Methylethyl)-8,11-dioxo-3,6-bis(phenylMethyl) 12-Oxa-2,7,10-triazatetradecanoic Acid 5-ThiazolylMethyl Ester
CAS Number:
165315-96-8
IUPAC Name:
tert-butyl N-[1-[[4-hydroxy-1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
InChI:
InChI=1S/C33H44N4O6S/c1-22(2)29(37-32(41)43-33(3,4)5)30(39)35-25(16-23-12-8-6-9-13-23)18-28(38)27(17-24-14-10-7-11-15-24)36-31(40)42-20-26-19-34-21-44-26/h6-15,19,21-22,25,27-29,38H,16-18,20H2,1-5H3,(H,35,39)(H,36,40)(H,37,41)
InChI Key:
YTUZKKZZDRSLNF-UHFFFAOYSA-N
Properties
Complexity:
888
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
624.298g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
624.797g/mol
Monoisotopic Mass:
624.298g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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