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Home > Nitro Compounds > 99264-69-4
99264-69-4 | L-Prolinamide, L-methionyl-N-(4-nitrophenyl)-
CAS No: 99264-69-4 Catalog No: AG005SR4 MDL No:
Product Description
Catalog Number:
AG005SR4
Chemical Name:
L-Prolinamide, L-methionyl-N-(4-nitrophenyl)-
CAS Number:
99264-69-4
Molecular Formula:
C16H22N4O4S
Molecular Weight:
366.4353
IUPAC Name:
(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
InChI:
InChI=1S/C16H22N4O4S/c1-25-10-8-13(17)16(22)19-9-2-3-14(19)15(21)18-11-4-6-12(7-5-11)20(23)24/h4-7,13-14H,2-3,8-10,17H2,1H3,(H,18,21)/t13-,14-/m0/s1
InChI Key:
HQRJJHXKCFABSI-KBPBESRZSA-N
SMILES:
CSCC[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[N+](=O)[O-])N
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
366.136g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.436g/mol
Monoisotopic Mass:
366.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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