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85640-90-0 | N-[(3-Hydroxy-2-pyridinyl)carbonyl]cyclo[L-Thr*-D-Abu-L-Pro-N-methyl-L-Phe-4α-hydroxy-L-pipecoloyl-L-Ala-]
CAS No: 85640-90-0 Catalog No: AG00GL0H MDL No:
Product Description
Catalog Number:
AG00GL0H
Chemical Name:
N-[(3-Hydroxy-2-pyridinyl)carbonyl]cyclo[L-Thr*-D-Abu-L-Pro-N-methyl-L-Phe-4α-hydroxy-L-pipecoloyl-L-Ala-]
CAS Number:
85640-90-0
IUPAC Name:
N-[(3S,6S,12R,15S,16R,19S,22S,24R)-3-benzyl-12-ethyl-24-hydroxy-4,16,19-trimethyl-2,5,11,14,18,21-hexaoxo-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
InChI:
InChI=1S/C38H49N7O10/c1-5-25-35(51)44-17-10-13-26(44)36(52)43(4)28(19-23-11-7-6-8-12-23)37(53)45-18-15-24(46)20-27(45)32(48)40-21(2)38(54)55-22(3)30(33(49)41-25)42-34(50)31-29(47)14-9-16-39-31/h6-9,11-12,14,16,21-22,24-28,30,46-47H,5,10,13,15,17-20H2,1-4H3,(H,40,48)(H,41,49)(H,42,50)/t21-,22+,24+,25+,26-,27-,28-,30-/m0/s1
InChI Key:
SWMLPZCXZOSHKN-JOWILLEZSA-N
Properties
Complexity:
1440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
763.354g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
763.849g/mol
Monoisotopic Mass:
763.354g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
228A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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