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1260595-02-5 | Butanoic acid, 2-[bis[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, methyl ester, (2R)-
CAS No: 1260595-02-5 Catalog No: AG000QVT MDL No:
Product Description
Catalog Number:
AG000QVT
Chemical Name:
Butanoic acid, 2-[bis[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, methyl ester, (2R)-
CAS Number:
1260595-02-5
Molecular Formula:
C15H25NO7
Molecular Weight:
331.3615
IUPAC Name:
2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
InChI:
InChI=1S/C24H22N2O5S/c1-3-31-17-9-8-16(12-18(17)30-2)21-20(22(27)19-7-5-11-32-19)23(28)24(29)26(21)14-15-6-4-10-25-13-15/h4-13,21,28H,3,14H2,1-2H3
InChI Key:
KIUGISHAFNWHJH-UHFFFAOYSA-N
SMILES:
O=CC[C@@H](N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC
Properties
Complexity:
729
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.125g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
450.509g/mol
Monoisotopic Mass:
450.125g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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