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130487-95-5 | L-Aspartic acid, L-arginyl-N-methylglycyl- (9CI)
CAS No: 130487-95-5 Catalog No: AG000UHK MDL No:
Product Description
Catalog Number:
AG000UHK
Chemical Name:
L-Aspartic acid, L-arginyl-N-methylglycyl- (9CI)
CAS Number:
130487-95-5
Molecular Formula:
C13H24N6O6
Molecular Weight:
360.3663
IUPAC Name:
2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]-methylamino]acetyl]amino]butanedioic acid
InChI:
InChI=1S/C13H24N6O6/c1-19(11(23)7(14)3-2-4-17-13(15)16)6-9(20)18-8(12(24)25)5-10(21)22/h7-8H,2-6,14H2,1H3,(H,18,20)(H,21,22)(H,24,25)(H4,15,16,17)
InChI Key:
LKESEUJLHMFHBT-UHFFFAOYSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N(CC(=O)N[C@H](C(=O)O)CC(=O)O)C)N
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.176g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
360.371g/mol
Monoisotopic Mass:
360.176g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.8
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