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Home > Nitro Compounds > 89314-97-6
89314-97-6 | L-Leucine, N-[N-(N-acetyl-4-nitro-L-phenylalanyl)glycyl]-
CAS No: 89314-97-6 Catalog No: AG00405B MDL No:
Product Description
Catalog Number:
AG00405B
Chemical Name:
L-Leucine, N-[N-(N-acetyl-4-nitro-L-phenylalanyl)glycyl]-
CAS Number:
89314-97-6
Molecular Formula:
C19H26N4O7
Molecular Weight:
422.4323
IUPAC Name:
2-[[2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C19H26N4O7/c1-11(2)8-16(19(27)28)22-17(25)10-20-18(26)15(21-12(3)24)9-13-4-6-14(7-5-13)23(29)30/h4-7,11,15-16H,8-10H2,1-3H3,(H,20,26)(H,21,24)(H,22,25)(H,27,28)
InChI Key:
VGGBWNGFQLKULK-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)C)C
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.18g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
422.438g/mol
Monoisotopic Mass:
422.18g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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