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121788-37-2 | L-Phenylalanine, N-acetyl-L-tryptophyl-
CAS No: 121788-37-2 Catalog No: AG00161E MDL No:
Product Description
Catalog Number:
AG00161E
Chemical Name:
L-Phenylalanine, N-acetyl-L-tryptophyl-
CAS Number:
121788-37-2
Molecular Formula:
C22H23N3O4
Molecular Weight:
393.4357
IUPAC Name:
2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C22H23N3O4/c1-14(26)24-19(12-16-13-23-18-10-6-5-9-17(16)18)21(27)25-20(22(28)29)11-15-7-3-2-4-8-15/h2-10,13,19-20,23H,11-12H2,1H3,(H,24,26)(H,25,27)(H,28,29)
InChI Key:
MDSPIXMKTVJISS-UHFFFAOYSA-N
SMILES:
CC(=O)N[C@H](C(=O)N[C@H](C(=O)O)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:
393.169g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
393.443g/mol
Monoisotopic Mass:
393.169g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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