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117153-91-0 | Poly[imino[(2S)-2-amino-1-oxo-1,4-butanediyl]]
CAS No: 117153-91-0 Catalog No: AG000DTK MDL No:
Product Description
Catalog Number:
AG000DTK
Chemical Name:
Poly[imino[(2S)-2-amino-1-oxo-1,4-butanediyl]]
CAS Number:
117153-91-0
Molecular Formula:
C4H8N2O
Molecular Weight:
100.1191
IUPAC Name:
2-amino-4-(2,4-diaminobutanoylamino)-1-hydroxybutan-1-olate
InChI:
InChI=1S/C8H19N4O3/c9-3-1-5(10)7(13)12-4-2-6(11)8(14)15/h5-6,8,14H,1-4,9-11H2,(H,12,13)/q-1
InChI Key:
CXSQFTMIJNQLFQ-UHFFFAOYSA-N
SMILES:
*CC[C@@H](C(=O)N*)N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.146g/mol
Formal Charge:
-1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
219.265g/mol
Monoisotopic Mass:
219.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
Literature
| Title | Journal |
|---|---|
| Semi-synthesis of polymyxin B (2-10) and colistin (2-10) analogs employing the Trichloroethoxycarbonyl (Troc) group for side chain protection of alpha,gamma-diaminobutyric acid residues. | Chemical & pharmaceutical bulletin 20071201 |
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