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160347-94-4 | D-Ornithine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-
CAS No: 160347-94-4 Catalog No: AG001RUG MDL No:MFCD02682438
Product Description
Catalog Number:
AG001RUG
Chemical Name:
D-Ornithine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-
CAS Number:
160347-94-4
Molecular Formula:
C21H23N5O6
Molecular Weight:
441.4372
MDL Number:
MFCD02682438
IUPAC Name:
(2R)-5-[[amino(nitramido)methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
InChI:
InChI=1S/C21H23N5O6/c22-20(25-26(30)31)23-11-5-10-18(19(27)28)24-21(29)32-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,24,29)(H,27,28)(H3,22,23,25)/t18-/m1/s1
InChI Key:
RXMHIKWOZKQXCJ-GOSISDBHSA-N
SMILES:
O=C(N[C@@H](C(=O)O)CCCNC(=N)N[N+](=O)[O-])OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
441.165g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
441.444g/mol
Monoisotopic Mass:
441.165g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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