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66002-40-2 | N-(3-Hydroxy-2-pyridinylcarbonyl)-cyclo[L-Thr*-D-Leu-D-Pro-Sar-N-methyl-2-(1,2-dimethylpropyl)L-Gly-L-Ala-N-methyl-L-phenyl Gly-]
CAS No: 66002-40-2 Catalog No: AG00FX7R MDL No:
Product Description
Catalog Number:
AG00FX7R
Chemical Name:
N-(3-Hydroxy-2-pyridinylcarbonyl)-cyclo[L-Thr*-D-Leu-D-Pro-Sar-N-methyl-2-(1,2-dimethylpropyl)L-Gly-L-Ala-N-methyl-L-phenyl Gly-]
CAS Number:
66002-40-2
IUPAC Name:
3-hydroxy-N-[(3R,6S,7R,10S,13S,16S,22R)-7,11,13,17,20-pentamethyl-16-(3-methylbutan-2-yl)-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide
InChI:
InChI=1S/C44H62N8O10/c1-24(2)22-30-42(59)52-21-15-18-31(52)43(60)49(8)23-33(54)50(9)36(26(5)25(3)4)40(57)46-27(6)41(58)51(10)37(29-16-12-11-13-17-29)44(61)62-28(7)34(38(55)47-30)48-39(56)35-32(53)19-14-20-45-35/h11-14,16-17,19-20,24-28,30-31,34,36-37,53H,15,18,21-23H2,1-10H3,(H,46,57)(H,47,55)(H,48,56)/t26?,27-,28+,30+,31+,34-,36-,37-/m0/s1
InChI Key:
XMKLKZFSQXZUQU-YTVWQYSFSA-N
Properties
Complexity:
1640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
862.459g/mol
Formal Charge:
0
Heavy Atom Count:
62
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
863.026g/mol
Monoisotopic Mass:
862.459g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
228A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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