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200132-16-7

200132-16-7 | L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2,3,4,5,6-pentafluorophenyl ester

CAS No: 200132-16-7 Catalog No: AG002CKH MDL No:

Product Description

Catalog Number:
AG002CKH
Chemical Name:
L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2,3,4,5,6-pentafluorophenyl ester
CAS Number:
200132-16-7
Molecular Formula:
C40H39F5N4O7S
Molecular Weight:
814.8173
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) (2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
InChI:
InChI=1S/C40H39F5N4O7S/c1-19-20(2)36(21(3)26-17-40(4,5)56-34(19)26)57(52,53)49-38(46)47-16-10-15-28(37(50)55-35-32(44)30(42)29(41)31(43)33(35)45)48-39(51)54-18-27-24-13-8-6-11-22(24)23-12-7-9-14-25(23)27/h6-9,11-14,27-28H,10,15-18H2,1-5H3,(H,48,51)(H3,46,47,49)/t28-/m0/s1
InChI Key:
SKUZYOYASRPHMO-NDEPHWFRSA-N
SMILES:
O=C(N[C@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)CCCNC=NNS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)OCC1c2ccccc2c2c1cccc2

Properties

Complexity:
1530  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
814.246g/mol
Formal Charge:
0
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
814.825g/mol
Monoisotopic Mass:
814.246g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5  

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