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72087-41-3 | 2-amino-5-(diaminomethylideneamino)pentanoic acid; 3-methyl-2-oxo-butanoic acid
CAS No: 72087-41-3 Catalog No: AG005DAB MDL No:
Product Description
Catalog Number:
AG005DAB
Chemical Name:
2-amino-5-(diaminomethylideneamino)pentanoic acid; 3-methyl-2-oxo-butanoic acid
CAS Number:
72087-41-3
Molecular Formula:
C11H22N4O5
Molecular Weight:
290.3162
IUPAC Name:
2-amino-5-(diaminomethylideneamino)pentanoic acid;3-methyl-2-oxobutanoic acid
InChI:
InChI=1S/C6H14N4O2.C5H8O3/c7-4(5(11)12)2-1-3-10-6(8)9;1-3(2)4(6)5(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2H3,(H,7,8)
InChI Key:
BZQFWTZAFAGLOE-UHFFFAOYSA-N
SMILES:
CC(C(=O)C(=O)O)C.OC(=O)C(CCCN=C(N)N)N
EC Number:
276-328-5
NSC Number:
353628
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.159g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
290.32g/mol
Monoisotopic Mass:
290.159g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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