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159857-90-6 | L-Lysinamide, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-N6-[(2-propen-1-yloxy)carbonyl]-
CAS No: 159857-90-6 Catalog No: AG001RFY MDL No:
Product Description
Catalog Number:
AG001RFY
Chemical Name:
L-Lysinamide, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-N6-[(2-propen-1-yloxy)carbonyl]-
CAS Number:
159857-90-6
Molecular Formula:
C41H43N5O11
Molecular Weight:
781.8070
IUPAC Name:
[4-[[(2S)-1-amino-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
InChI:
InChI=1S/C41H43N5O11/c1-2-25-54-39(49)43-24-10-9-15-36(37(42)47)45(32-18-16-31(17-19-32)28-56-41(51)57-34-22-20-33(21-23-34)46(52)53)38(48)35(26-29-11-5-3-6-12-29)44-40(50)55-27-30-13-7-4-8-14-30/h2-8,11-14,16-23,35-36H,1,9-10,15,24-28H2,(H2,42,47)(H,43,49)(H,44,50)/t35-,36-/m0/s1
InChI Key:
ZDMMWLUQPVUZQI-ZPGRZCPFSA-N
SMILES:
C=CCOC(=O)NCCCC[C@@H](C(=O)Nc1ccc(cc1)COC(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Properties
Complexity:
1300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
781.296g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
781.819g/mol
Monoisotopic Mass:
781.296g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
221A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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