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66002-39-9 | N-(3-Hydroxy-2-pyridinylcarbonyl)-cyclo[L-Thr*-D-Leu-D-Pro-Sar-N-methyl-2-(1,2-dimethylpropyl)L-Gly-L-Abu-N-methyl-L-phenyl Gly-]
CAS No: 66002-39-9 Catalog No: AG00FX7Q MDL No:
Product Description
Catalog Number:
AG00FX7Q
Chemical Name:
N-(3-Hydroxy-2-pyridinylcarbonyl)-cyclo[L-Thr*-D-Leu-D-Pro-Sar-N-methyl-2-(1,2-dimethylpropyl)L-Gly-L-Abu-N-methyl-L-phenyl Gly-]
CAS Number:
66002-39-9
IUPAC Name:
N-[(3R,6S,7R,10S,13S,16S,22R)-13-ethyl-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/C45H64N8O10/c1-11-30-42(59)52(10)38(29-17-13-12-14-18-29)45(62)63-28(7)35(49-40(57)36-33(54)20-15-21-46-36)39(56)48-31(23-25(2)3)43(60)53-22-16-19-32(53)44(61)50(8)24-34(55)51(9)37(41(58)47-30)27(6)26(4)5/h12-15,17-18,20-21,25-28,30-32,35,37-38,54H,11,16,19,22-24H2,1-10H3,(H,47,58)(H,48,56)(H,49,57)/t27?,28-,30+,31-,32-,35+,37+,38+/m1/s1
InChI Key:
NPHUKIOGHFYZCW-KTWIDACSSA-N
Properties
Complexity:
1650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
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:
8
Topological Polar Surface Area:
228A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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