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81720-11-8 | N-(3-Hydroxy-2-pyridinylcarbonyl)-cyclo[L-Thr*-D-Leu-[(4R)-4-methyl-D-Pro-]Sar-N-methyl-2-(1,2-dimethylpropyl)-L-Gly-L-Ala-N-methyl-L-phenyl Gly-]
CAS No: 81720-11-8 Catalog No: AG00GJR1 MDL No:
Product Description
Catalog Number:
AG00GJR1
Chemical Name:
N-(3-Hydroxy-2-pyridinylcarbonyl)-cyclo[L-Thr*-D-Leu-[(4R)-4-methyl-D-Pro-]Sar-N-methyl-2-(1,2-dimethylpropyl)-L-Gly-L-Ala-N-methyl-L-phenyl Gly-]
CAS Number:
81720-11-8
IUPAC Name:
N-[(3R,6S,7R,10S,13S,16S,22R,24R)-7,11,13,17,20,24-hexamethyl-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]-3-hydroxypyridine-2-carboxamide
InChI:
InChI=1S/C45H64N8O10/c1-24(2)20-31-43(60)53-22-26(5)21-32(53)44(61)50(9)23-34(55)51(10)37(27(6)25(3)4)41(58)47-28(7)42(59)52(11)38(30-16-13-12-14-17-30)45(62)63-29(8)35(39(56)48-31)49-40(57)36-33(54)18-15-19-46-36/h12-19,24-29,31-32,35,37-38,54H,20-23H2,1-11H3,(H,47,58)(H,48,56)(H,49,57)/t26-,27?,28+,29-,31-,32-,35+,37+,38+/m1/s1
InChI Key:
ZNRWKVGYPQKRBF-IWBFSUSPSA-N
Properties
Complexity:
1670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
876.475g/mol
Formal Charge:
0
Heavy Atom Count:
63
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
877.053g/mol
Monoisotopic Mass:
876.475g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
228A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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