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827612-55-5 | L-Phenylalanine, 4-bromo-N-[(phenylamino)carbonyl]-
CAS No: 827612-55-5 Catalog No: AG0056ZG MDL No:
Product Description
Catalog Number:
AG0056ZG
Chemical Name:
L-Phenylalanine, 4-bromo-N-[(phenylamino)carbonyl]-
CAS Number:
827612-55-5
Molecular Formula:
C16H15BrN2O3
Molecular Weight:
363.2059
IUPAC Name:
(2S)-3-(4-bromophenyl)-2-(phenylcarbamoylamino)propanoic acid
InChI:
InChI=1S/C16H15BrN2O3/c17-12-8-6-11(7-9-12)10-14(15(20)21)19-16(22)18-13-4-2-1-3-5-13/h1-9,14H,10H2,(H,20,21)(H2,18,19,22)/t14-/m0/s1
InChI Key:
NLOAGCAXGRMRKL-AWEZNQCLSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)Br)Nc1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
362.027g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
363.211g/mol
Monoisotopic Mass:
362.027g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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