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Home > Nitro Compounds > 83646-35-9
83646-35-9 | L-Leucine, N-[4-nitro-N-[N-(N-L-tyrosylglycyl)glycyl]-L-phenylalanyl]-
CAS No: 83646-35-9 Catalog No: AG004YV2 MDL No:
Product Description
Catalog Number:
AG004YV2
Chemical Name:
L-Leucine, N-[4-nitro-N-[N-(N-L-tyrosylglycyl)glycyl]-L-phenylalanyl]-
CAS Number:
83646-35-9
Molecular Formula:
C28H36N6O9
Molecular Weight:
600.6202
IUPAC Name:
(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C28H36N6O9/c1-16(2)11-23(28(40)41)33-27(39)22(13-18-3-7-19(8-4-18)34(42)43)32-25(37)15-30-24(36)14-31-26(38)21(29)12-17-5-9-20(35)10-6-17/h3-10,16,21-23,35H,11-15,29H2,1-2H3,(H,30,36)(H,31,38)(H,32,37)(H,33,39)(H,40,41)/t21-,22-,23-/m0/s1
InChI Key:
OSMNNOLWZDBJSM-VABKMULXSA-N
SMILES:
CC(C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)C
Properties
Complexity:
972
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
600.254g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
600.629g/mol
Monoisotopic Mass:
600.254g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
246A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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