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179524-67-5 | 1(2H)-Pyridineacetamide, N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-3-[[[(2-fluorophenyl)methyl]sulfonyl]amino]-2-oxo-, (S)- (9CI)
CAS No: 179524-67-5 Catalog No: AG00272E MDL No:
Product Description
Catalog Number:
AG00272E
Chemical Name:
1(2H)-Pyridineacetamide, N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-3-[[[(2-fluorophenyl)methyl]sulfonyl]amino]-2-oxo-, (S)- (9CI)
CAS Number:
179524-67-5
Molecular Formula:
C20H25FN6O5S
Molecular Weight:
480.5131
IUPAC Name:
N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-3,4-dihydropyridin-1-yl]acetamide
InChI:
InChI=1S/C20H27FN6O5S/c21-16-7-2-1-5-14(16)13-33(31,32)26-17-8-4-10-27(19(17)30)11-18(29)25-15(12-28)6-3-9-24-20(22)23/h1-2,4-5,7,10,12,15,17,26H,3,6,8-9,11,13H2,(H,25,29)(H4,22,23,24)/t15-,17?/m0/s1
InChI Key:
WTOLVDCIEAOYHH-MYJWUSKBSA-N
SMILES:
NN=CNCCC[C@H](NC(=O)Cn1cccc(c1=O)NS(=O)(=O)Cc1ccccc1F)C=O
Properties
Complexity:
856
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
482.175g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
482.531g/mol
Monoisotopic Mass:
482.175g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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