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Home > Nitro Compounds > 96723-72-7
96723-72-7 | Nalpha-Z-L-arginine 4-nitrobenzyl ester hydrochloride
CAS No: 96723-72-7 Catalog No: AG005SVM MDL No:
Product Description
Catalog Number:
AG005SVM
Chemical Name:
Nalpha-Z-L-arginine 4-nitrobenzyl ester hydrochloride
CAS Number:
96723-72-7
Molecular Formula:
C21H26ClN5O6
Molecular Weight:
479.9140
IUPAC Name:
(4-nitrophenyl)methyl (2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoate;hydrochloride
InChI:
InChI=1S/C21H25N5O6.ClH/c22-20(23)24-12-4-7-18(25-21(28)32-14-15-5-2-1-3-6-15)19(27)31-13-16-8-10-17(11-9-16)26(29)30;/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,25,28)(H4,22,23,24);1H/t18-;/m0./s1
InChI Key:
NZOFENWQBGWSEU-FERBBOLQSA-N
SMILES:
O=C(N[C@H](C(=O)OCc1ccc(cc1)[N+](=O)[O-])CCCN=C(N)N)OCc1ccccc1.Cl
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
479.157g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
479.918g/mol
Monoisotopic Mass:
479.157g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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