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830358-95-7 | Glycine, N-(isocyanoacetyl)glycylglycyl-
CAS No: 830358-95-7 Catalog No: AG005C8X MDL No:
Product Description
Catalog Number:
AG005C8X
Chemical Name:
Glycine, N-(isocyanoacetyl)glycylglycyl-
CAS Number:
830358-95-7
Molecular Formula:
C9H12N4O5
Molecular Weight:
256.2154
IUPAC Name:
2-[[2-[[2-[(2-isocyanoacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
InChI:
InChI=1S/C9H12N4O5/c1-10-2-6(14)11-3-7(15)12-4-8(16)13-5-9(17)18/h2-5H2,(H,11,14)(H,12,15)(H,13,16)(H,17,18)
InChI Key:
XRWREJNQJVSIJH-UHFFFAOYSA-N
SMILES:
[C-]#[N+]CC(=O)NCC(=O)NCC(=O)NCC(=O)O
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
256.218g/mol
Monoisotopic Mass:
256.081g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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