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Home > Nitro Compounds > 83447-91-0
83447-91-0 | LEUCYL-LEUCYL-4-AZIDO-2-NITROPHENYLALANINE
CAS No: 83447-91-0 Catalog No: AG0053ZL MDL No:
Product Description
Catalog Number:
AG0053ZL
Chemical Name:
LEUCYL-LEUCYL-4-AZIDO-2-NITROPHENYLALANINE
CAS Number:
83447-91-0
Molecular Formula:
C21H31N7O6
Molecular Weight:
477.5141
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-azido-2-nitrophenyl)propanoic acid
InChI:
InChI=1S/C21H31N7O6/c1-11(2)7-15(22)19(29)24-16(8-12(3)4)20(30)25-17(21(31)32)9-13-5-6-14(26-27-23)10-18(13)28(33)34/h5-6,10-12,15-17H,7-9,22H2,1-4H3,(H,24,29)(H,25,30)(H,31,32)/t15-,16-,17-/m0/s1
InChI Key:
MXOLCYJYVVFSMY-ULQDDVLXSA-N
SMILES:
[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CC(C)C
Properties
Complexity:
778
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
477.234g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
477.522g/mol
Monoisotopic Mass:
477.234g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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