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88374-56-5 | L-Phenylalanine, N-L-tyrosyl-, monohydrate
CAS No: 88374-56-5 Catalog No: AG004FRY MDL No:
Product Description
Catalog Number:
AG004FRY
Chemical Name:
L-Phenylalanine, N-L-tyrosyl-, monohydrate
CAS Number:
88374-56-5
Molecular Formula:
C18H22N2O5
Molecular Weight:
346.3777
IUPAC Name:
(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid;hydrate
InChI:
InChI=1S/C18H20N2O4.H2O/c19-15(10-13-6-8-14(21)9-7-13)17(22)20-16(18(23)24)11-12-4-2-1-3-5-12;/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24);1H2/t15-,16-;/m0./s1
InChI Key:
HRPNZHFRFAVKRY-MOGJOVFKSA-N
SMILES:
O=C([C@H](Cc1ccc(cc1)O)N)N[C@H](C(=O)O)Cc1ccccc1.O
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
346.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
346.383g/mol
Monoisotopic Mass:
346.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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