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119206-29-0 | L-Phenylalaninamide, N-acetyl-L-tryptophyl- (9CI)
CAS No: 119206-29-0 Catalog No: AG000IE6 MDL No:
Product Description
Catalog Number:
AG000IE6
Chemical Name:
L-Phenylalaninamide, N-acetyl-L-tryptophyl- (9CI)
CAS Number:
119206-29-0
Molecular Formula:
C22H24N4O3
Molecular Weight:
392.4510
IUPAC Name:
2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
InChI:
InChI=1S/C22H24N4O3/c1-14(27)25-20(12-16-13-24-18-10-6-5-9-17(16)18)22(29)26-19(21(23)28)11-15-7-3-2-4-8-15/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)
InChI Key:
NYDAOAOFRBMAPQ-UHFFFAOYSA-N
SMILES:
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.185g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
392.459g/mol
Monoisotopic Mass:
392.185g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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