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120103-84-6 | L-Aspartic acid, D-arginylglycyl-
CAS No: 120103-84-6 Catalog No: AG000QBE MDL No:
Product Description
Catalog Number:
AG000QBE
Chemical Name:
L-Aspartic acid, D-arginylglycyl-
CAS Number:
120103-84-6
Molecular Formula:
C12H22N6O6
Molecular Weight:
346.3397
IUPAC Name:
2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid
InChI:
InChI=1S/C12H22N6O6/c13-6(2-1-3-16-12(14)15)10(22)17-5-8(19)18-7(11(23)24)4-9(20)21/h6-7H,1-5,13H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H4,14,15,16)
InChI Key:
IYMAXBFPHPZYIK-UHFFFAOYSA-N
SMILES:
NC(=N)NCCC[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CC(=O)O)N
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.16g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
346.344g/mol
Monoisotopic Mass:
346.16g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
223A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-6
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