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Home > Nitro Compounds > 824956-56-1
824956-56-1 | L-Serine, L-phenylalanyl-3-nitrovalyl-
CAS No: 824956-56-1 Catalog No: AG004VCE MDL No:
Product Description
Catalog Number:
AG004VCE
Chemical Name:
L-Serine, L-phenylalanyl-3-nitrovalyl-
CAS Number:
824956-56-1
Molecular Formula:
C17H24N4O7
Molecular Weight:
396.3951
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methyl-3-nitrobutanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C17H24N4O7/c1-17(2,21(27)28)13(15(24)19-12(9-22)16(25)26)20-14(23)11(18)8-10-6-4-3-5-7-10/h3-7,11-13,22H,8-9,18H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)/t11-,12-,13+/m0/s1
InChI Key:
KTUWGJTZSHZVRM-RWMBFGLXSA-N
SMILES:
OC[C@@H](C(=O)O)NC(=O)[C@H](C([N+](=O)[O-])(C)C)NC(=O)[C@H](Cc1ccccc1)N
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
396.164g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
396.4g/mol
Monoisotopic Mass:
396.164g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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