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1160844-44-9 | L-Lysinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-N6-[(2-propen-1-yloxy)carbonyl]-
CAS No: 1160844-44-9 Catalog No: AG000BKI MDL No:MFCD22200441
Product Description
Catalog Number:
AG000BKI
Chemical Name:
L-Lysinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-N6-[(2-propen-1-yloxy)carbonyl]-
CAS Number:
1160844-44-9
Molecular Formula:
C38H45N5O11
Molecular Weight:
747.7908
MDL Number:
MFCD22200441
IUPAC Name:
[4-[[(2S)-1-amino-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
InChI:
InChI=1S/C38H45N5O11/c1-5-23-51-35(46)40-22-10-9-13-32(33(39)44)42(34(45)31(24-26-11-7-6-8-12-26)41-36(47)54-38(2,3)4)28-16-14-27(15-17-28)25-52-37(48)53-30-20-18-29(19-21-30)43(49)50/h5-8,11-12,14-21,31-32H,1,9-10,13,22-25H2,2-4H3,(H2,39,44)(H,40,46)(H,41,47)/t31-,32-/m0/s1
InChI Key:
ZFWAEVQMHYNGJL-ACHIHNKUSA-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)OC(C)(C)C
Properties
Complexity:
1250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
747.312g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
747.802g/mol
Monoisotopic Mass:
747.312g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
221A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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