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201046-36-8 | L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-(pyrazinylcarbonyl)- (9CI)
CAS No: 201046-36-8 Catalog No: AG002D6B MDL No:MFCD00672319
Product Description
Catalog Number:
AG002D6B
Chemical Name:
L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-(pyrazinylcarbonyl)- (9CI)
CAS Number:
201046-36-8
Molecular Formula:
C15H22N4O5
Molecular Weight:
338.3590
MDL Number:
MFCD00672319
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(pyrazine-2-carbonylamino)pentanoic acid
InChI:
InChI=1S/C15H22N4O5/c1-15(2,3)24-14(23)19-10(13(21)22)5-4-6-18-12(20)11-9-16-7-8-17-11/h7-10H,4-6H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)/t10-/m0/s1
InChI Key:
JHSPNQNFWYAWFA-JTQLQIEISA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)CCCNC(=O)c1nccnc1
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
338.159g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
338.364g/mol
Monoisotopic Mass:
338.159g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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