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159857-81-5 | L-OrnithinaMide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aMinocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]Methyl]phenyl]-
CAS No: 159857-81-5 Catalog No: AG001RFZ MDL No:MFCD22200431
Product Description
Catalog Number:
AG001RFZ
Chemical Name:
L-OrnithinaMide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aMinocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]Methyl]phenyl]-
CAS Number:
159857-81-5
Molecular Formula:
C35H43N7O11
Molecular Weight:
737.7562
MDL Number:
MFCD22200431
IUPAC Name:
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
InChI:
InChI=1S/C35H43N7O11/c1-22(2)31(40-28(43)8-4-3-5-20-41-29(44)17-18-30(41)45)33(47)39-27(7-6-19-37-34(36)48)32(46)38-24-11-9-23(10-12-24)21-52-35(49)53-26-15-13-25(14-16-26)42(50)51/h9-18,22,27,31H,3-8,19-21H2,1-2H3,(H,38,46)(H,39,47)(H,40,43)(H3,36,37,48)/t27-,31-/m0/s1
InChI Key:
HYSPJPGXSALJRR-DHIFEGFHSA-N
SMILES:
NC(=O)NCCC[C@@H](C(=O)Nc1ccc(cc1)COC(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@H](C(C)C)NC(=O)CCCCCN1C(=O)C=CC1=O
Properties
Complexity:
1320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
737.302g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
737.767g/mol
Monoisotopic Mass:
737.302g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
261A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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