Home Sulfos (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-{[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-{N'-[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamimidamido}pentanoyl]oxy}propanoic acid

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-{[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-{N'-[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamimidamido}pentanoyl]oxy}propanoic acid

CAS No.:
944283-22-1
Catalog Number:
AG01FP7K
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01FP7K
Chemical Name:
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-{[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-{N'-[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamimidamido}pentanoyl]oxy}propanoic acid
CAS Number:
944283-22-1
MDL Number:
MFCD10001364
IUPAC Name:
(2S)-3-[(2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C42H53N5O11S/c1-23-24(2)35(25(3)30-20-42(7,8)57-34(23)30)59(53,54)47-38(43)44-19-13-18-32(37(50)55-22-33(36(48)49)46-40(52)58-41(4,5)6)45-39(51)56-21-31-28-16-11-9-14-26(28)27-15-10-12-17-29(27)31/h9-12,14-17,31-33H,13,18-22H2,1-8H3,(H,45,51)(H,46,52)(H,48,49)(H3,43,44,47)/t32-,33-/m0/s1
InChI Key:
HTCWPXLOEAMBFJ-LQJZCPKCSA-N
Properties
Complexity:
1620  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
835.346g/mol
Formal Charge:
0
Heavy Atom Count:
59  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
835.97g/mol
Monoisotopic Mass:
835.346g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
242A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8  
Properties