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83575-39-7 | Pentanamide,2-amino-5-[(aminocarbonyl)amino]-N-(4-nitrophenyl)-, monohydrobromide, (S)-(9CI)
CAS No: 83575-39-7 Catalog No: AG0057GZ MDL No:
Product Description
Catalog Number:
AG0057GZ
Chemical Name:
Pentanamide,2-amino-5-[(aminocarbonyl)amino]-N-(4-nitrophenyl)-, monohydrobromide, (S)-(9CI)
CAS Number:
83575-39-7
Molecular Formula:
C12H18BrN5O4
Molecular Weight:
376.2064
IUPAC Name:
(2S)-2-amino-5-(carbamoylamino)-N-(4-nitrophenyl)pentanamide;hydrobromide
InChI:
InChI=1S/C12H17N5O4.BrH/c13-10(2-1-7-15-12(14)19)11(18)16-8-3-5-9(6-4-8)17(20)21;/h3-6,10H,1-2,7,13H2,(H,16,18)(H3,14,15,19);1H/t10-;/m0./s1
InChI Key:
BUFNVCIQUCWRBR-PPHPATTJSA-N
SMILES:
NC(=O)NCCC[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])N.Br
EC Number:
280-493-9
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
375.054g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
376.211g/mol
Monoisotopic Mass:
375.054g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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