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26400-34-0 | L-Phenylalaninamide, N-[3-(2-furanyl)-1-oxo-2-propenyl]glycyl- (9CI)
CAS No: 26400-34-0 Catalog No: AG002T1S MDL No:
Product Description
Catalog Number:
AG002T1S
Chemical Name:
L-Phenylalaninamide, N-[3-(2-furanyl)-1-oxo-2-propenyl]glycyl- (9CI)
CAS Number:
26400-34-0
Molecular Formula:
C18H19N3O4
Molecular Weight:
341.3612
IUPAC Name:
(2S)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-phenylpropanamide
InChI:
InChI=1S/C18H19N3O4/c19-18(24)15(11-13-5-2-1-3-6-13)21-17(23)12-20-16(22)9-8-14-7-4-10-25-14/h1-10,15H,11-12H2,(H2,19,24)(H,20,22)(H,21,23)/b9-8+/t15-/m0/s1
InChI Key:
VWWNVBHNYLBUSY-HVHJFMEUSA-N
SMILES:
O=C(N[C@H](C(=O)N)Cc1ccccc1)CNC(=O)C=Cc1ccco1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
341.138g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
341.367g/mol
Monoisotopic Mass:
341.138g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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