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85640-89-7

85640-89-7 | Cyclo[D-Leu-D-c4Hyp-N-methyl-Gly-N-methyl-L-Leu-L-Ala-N-methyl-L-phenyl Gly-N-[(3-hydroxy-2-pyridyl)carbonyl]-L-Thr*-]

CAS No: 85640-89-7 Catalog No: AG00GOFE MDL No:

Product Description

Catalog Number:
AG00GOFE
Chemical Name:
Cyclo[D-Leu-D-c4Hyp-N-methyl-Gly-N-methyl-L-Leu-L-Ala-N-methyl-L-phenyl Gly-N-[(3-hydroxy-2-pyridyl)carbonyl]-L-Thr*-]
CAS Number:
85640-89-7
IUPAC Name:
3-hydroxy-N-[(3R,6S,7R,10S,13S,16S,22R,24R)-24-hydroxy-7,11,13,17,20-pentamethyl-3,16-bis(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/C43H60N8O11/c1-23(2)18-29-41(59)51-21-28(52)20-31(51)42(60)48(7)22-33(54)49(8)30(19-24(3)4)37(55)45-25(5)40(58)50(9)36(27-14-11-10-12-15-27)43(61)62-26(6)34(38(56)46-29)47-39(57)35-32(53)16-13-17-44-35/h10-17,23-26,28-31,34,36,52-53H,18-22H2,1-9H3,(H,45,55)(H,46,56)(H,47,57)/t25-,26+,28+,29+,30-,31+,34-,36-/m0/s1
InChI Key:
UIBNCRZYBXXHBC-XILFOMROSA-N

Properties

Complexity:
1640  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
864.438g/mol
Formal Charge:
0
Heavy Atom Count:
62  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
864.998g/mol
Monoisotopic Mass:
864.438g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
248A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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