Home Carbonyls L-Lysine, N6-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-

L-Lysine, N6-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-

CAS No.:
1242933-88-5
Catalog Number:
AG000LSQ
Molecular Formula:
C42H34N2O10
Molecular Weight:
726.7268
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Product Description
Catalog Number:
AG000LSQ
Chemical Name:
L-Lysine, N6-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
1242933-88-5
Molecular Formula:
C42H34N2O10
Molecular Weight:
726.7268
MDL Number:
MFCD03787910
IUPAC Name:
(2S)-6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
InChI:
InChI=1S/C42H34N2O10/c45-24-13-16-33-36(20-24)53-37-21-25(46)14-17-34(37)42(33)32-15-12-23(19-30(32)40(50)54-42)38(47)43-18-6-5-11-35(39(48)49)44-41(51)52-22-31-28-9-3-1-7-26(28)27-8-2-4-10-29(27)31/h1-4,7-10,12-17,19-21,31,35,45-46H,5-6,11,18,22H2,(H,43,47)(H,44,51)(H,48,49)/t35-/m0/s1
InChI Key:
ZAGGWQSWIFPNCB-DHUJRADRSA-N
SMILES:
O=C(N[C@H](C(=O)O)CCCCNC(=O)c1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
1340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
726.221g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
726.738g/mol
Monoisotopic Mass:
726.221g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  
Properties