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827613-42-3 | L-Phenylalanine, N-[(phenylamino)carbonyl]-L-alanyl-
CAS No: 827613-42-3 Catalog No: AG0056NQ MDL No:
Product Description
Catalog Number:
AG0056NQ
Chemical Name:
L-Phenylalanine, N-[(phenylamino)carbonyl]-L-alanyl-
CAS Number:
827613-42-3
Molecular Formula:
C19H21N3O4
Molecular Weight:
355.3877
IUPAC Name:
(2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C19H21N3O4/c1-13(20-19(26)21-15-10-6-3-7-11-15)17(23)22-16(18(24)25)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H,22,23)(H,24,25)(H2,20,21,26)/t13-,16-/m0/s1
InChI Key:
VREJMCQQECSVGS-BBRMVZONSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)Nc1ccccc1
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
355.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
355.394g/mol
Monoisotopic Mass:
355.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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