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88874-01-5 | L-Alanine,N-(N-L-alanyl-L-alanyl)-, 2-(4-pyridinylcarbonyl)hydrazide, dihydrochloride(9CI)
CAS No: 88874-01-5 Catalog No: AG0049MX MDL No:
Product Description
Catalog Number:
AG0049MX
Chemical Name:
L-Alanine,N-(N-L-alanyl-L-alanyl)-, 2-(4-pyridinylcarbonyl)hydrazide, dihydrochloride(9CI)
CAS Number:
88874-01-5
Molecular Formula:
C15H22N6O4
Molecular Weight:
350.3730
IUPAC Name:
2-amino-N-[1-[[1-[amino(pyridine-4-carbonyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
InChI:
InChI=1S/C15H22N6O4/c1-8(16)12(22)19-9(2)13(23)20-10(3)14(24)21(17)15(25)11-4-6-18-7-5-11/h4-10H,16-17H2,1-3H3,(H,19,22)(H,20,23)
InChI Key:
BVXFJUCXMJSNIV-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)N(C(=O)c1ccncc1)N)NC(=O)[C@@H](NC(=O)[C@@H](N)C)C
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.17g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
350.379g/mol
Monoisotopic Mass:
350.17g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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