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Home > Nitro Compounds > 116052-89-2
116052-89-2 | Glycine, N-[N-[N-(4-nitro-L-phenylalanyl)glycyl]glycyl]- (9CI)
CAS No: 116052-89-2 Catalog No: AG000BHA MDL No:
Product Description
Catalog Number:
AG000BHA
Chemical Name:
Glycine, N-[N-[N-(4-nitro-L-phenylalanyl)glycyl]glycyl]- (9CI)
CAS Number:
116052-89-2
Molecular Formula:
C15H19N5O7
Molecular Weight:
381.3407
IUPAC Name:
2-[[2-[[2-[[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
InChI:
InChI=1S/C15H19N5O7/c16-11(5-9-1-3-10(4-2-9)20(26)27)15(25)19-7-13(22)17-6-12(21)18-8-14(23)24/h1-4,11H,5-8,16H2,(H,17,22)(H,18,21)(H,19,25)(H,23,24)/t11-/m0/s1
InChI Key:
ZFFFWALDWKPJDA-NSHDSACASA-N
SMILES:
O=C(NCC(=O)NCC(=O)O)CNC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])N
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
381.128g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
381.345g/mol
Monoisotopic Mass:
381.128g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4
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