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1272755-14-2 | L-Ornithine, N5-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]-N2-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 1272755-14-2 Catalog No: AG000WTD MDL No:MFCD05663733
Product Description
Catalog Number:
AG000WTD
Chemical Name:
L-Ornithine, N5-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]-N2-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
1272755-14-2
Molecular Formula:
C20H32N2O6
Molecular Weight:
396.4779
MDL Number:
MFCD05663733
IUPAC Name:
(2S)-5-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C20H32N2O6/c1-12(16-14(23)10-20(5,6)11-15(16)24)21-9-7-8-13(17(25)26)22-18(27)28-19(2,3)4/h13,23H,7-11H2,1-6H3,(H,22,27)(H,25,26)/t13-/m0/s1
InChI Key:
XIGXGXOCUDAHBK-ZDUSSCGKSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)CCCNC(=C1C(=O)CC(CC1=O)(C)C)C
Properties
Complexity:
685
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
396.226g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
396.484g/mol
Monoisotopic Mass:
396.226g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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