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Home > Nitro Compounds > 88476-98-6
88476-98-6 | L-Phenylalanine,N-(1-nitroso-L-prolyl)- (9CI)
CAS No: 88476-98-6 Catalog No: AG004AFT MDL No:
Product Description
Catalog Number:
AG004AFT
Chemical Name:
L-Phenylalanine,N-(1-nitroso-L-prolyl)- (9CI)
CAS Number:
88476-98-6
Molecular Formula:
C14H17N3O4
Molecular Weight:
291.3025
IUPAC Name:
(2S)-2-[[(2S)-1-nitrosopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C14H17N3O4/c18-13(12-7-4-8-17(12)16-21)15-11(14(19)20)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,18)(H,19,20)/t11-,12-/m0/s1
InChI Key:
WXRNJKHDJPYRPW-RYUDHWBXSA-N
SMILES:
O=NN1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
291.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.307g/mol
Monoisotopic Mass:
291.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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