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847780-71-6 | L-Phenylalanine, L-prolyl-L-seryl-
CAS No: 847780-71-6 Catalog No: AG004RR9 MDL No:
Product Description
Catalog Number:
AG004RR9
Chemical Name:
L-Phenylalanine, L-prolyl-L-seryl-
CAS Number:
847780-71-6
Molecular Formula:
C17H23N3O5
Molecular Weight:
349.3816
IUPAC Name:
(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C17H23N3O5/c21-10-14(20-15(22)12-7-4-8-18-12)16(23)19-13(17(24)25)9-11-5-2-1-3-6-11/h1-3,5-6,12-14,18,21H,4,7-10H2,(H,19,23)(H,20,22)(H,24,25)/t12-,13-,14-/m0/s1
InChI Key:
QKDIHFHGHBYTKB-IHRRRGAJSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)[C@@H]1CCCN1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
349.164g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
349.387g/mol
Monoisotopic Mass:
349.164g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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