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66184-96-1 | N-(3-Hydroxy-2-pyridinylcarbonyl)-cyclo[L-Thr*-D-Leu-D-c4Hyp-Sar-N-methyl-2-(1,2-dimethylpropyl)L-Gly-L-Abu-N-methyl-L-phenyl Gly-]
CAS No: 66184-96-1 Catalog No: AG00FXGR MDL No:
Product Description
Catalog Number:
AG00FXGR
Chemical Name:
N-(3-Hydroxy-2-pyridinylcarbonyl)-cyclo[L-Thr*-D-Leu-D-c4Hyp-Sar-N-methyl-2-(1,2-dimethylpropyl)L-Gly-L-Abu-N-methyl-L-phenyl Gly-]
CAS Number:
66184-96-1
IUPAC Name:
N-[(3R,6S,7R,10S,13S,16S,22R,24R)-13-ethyl-24-hydroxy-7,11,17,20-tetramethyl-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/C45H64N8O11/c1-11-30-42(60)52(10)38(28-16-13-12-14-17-28)45(63)64-27(7)35(49-40(58)36-33(55)18-15-19-46-36)39(57)48-31(20-24(2)3)43(61)53-22-29(54)21-32(53)44(62)50(8)23-34(56)51(9)37(41(59)47-30)26(6)25(4)5/h12-19,24-27,29-32,35,37-38,54-55H,11,20-23H2,1-10H3,(H,47,59)(H,48,57)(H,49,58)/t26?,27-,29-,30+,31-,32-,35+,37+,38+/m1/s1
InChI Key:
RAQOIYFNECDUMG-YTKPKGNYSA-N
Properties
Complexity:
1690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
892.469g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
893.052g/mol
Monoisotopic Mass:
892.469g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
248A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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