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Home > Nitro Compounds > 77430-28-5
77430-28-5 | glycyl-4-azido-2-nitro-l-phenylalanine
CAS No: 77430-28-5 Catalog No: AG005LLX MDL No:
Product Description
Catalog Number:
AG005LLX
Chemical Name:
glycyl-4-azido-2-nitro-l-phenylalanine
CAS Number:
77430-28-5
Molecular Formula:
C11H12N6O5
Molecular Weight:
308.2502
IUPAC Name:
(2S)-2-[(2-aminoacetyl)amino]-3-(4-azido-2-nitrophenyl)propanoic acid
InChI:
InChI=1S/C11H12N6O5/c12-5-10(18)14-8(11(19)20)3-6-1-2-7(15-16-13)4-9(6)17(21)22/h1-2,4,8H,3,5,12H2,(H,14,18)(H,19,20)/t8-/m0/s1
InChI Key:
LDHGOUDWFOTPKI-QMMMGPOBSA-N
SMILES:
[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])C[C@@H](C(=O)O)NC(=O)CN
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
308.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.254g/mol
Monoisotopic Mass:
308.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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