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827612-68-0 | L-Phenylalanine, 2-hydroxy-N-[(phenylamino)carbonyl]-
CAS No: 827612-68-0 Catalog No: AG004Y5D MDL No:
Product Description
Catalog Number:
AG004Y5D
Chemical Name:
L-Phenylalanine, 2-hydroxy-N-[(phenylamino)carbonyl]-
CAS Number:
827612-68-0
Molecular Formula:
C16H16N2O4
Molecular Weight:
300.3092
IUPAC Name:
(2S)-3-(2-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid
InChI:
InChI=1S/C16H16N2O4/c19-14-9-5-4-6-11(14)10-13(15(20)21)18-16(22)17-12-7-2-1-3-8-12/h1-9,13,19H,10H2,(H,20,21)(H2,17,18,22)/t13-/m0/s1
InChI Key:
AFWAXINFHAQANO-ZDUSSCGKSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccccc1O)Nc1ccccc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
300.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
300.314g/mol
Monoisotopic Mass:
300.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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