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847646-96-2 | L-Asparagine, L-phenylalanyl-L-threonylglycyl-
CAS No: 847646-96-2 Catalog No: AG004RVN MDL No:
Product Description
Catalog Number:
AG004RVN
Chemical Name:
L-Asparagine, L-phenylalanyl-L-threonylglycyl-
CAS Number:
847646-96-2
Molecular Formula:
C19H27N5O7
Molecular Weight:
437.4470
IUPAC Name:
(2S)-4-amino-2-[[2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C19H27N5O7/c1-10(25)16(24-17(28)12(20)7-11-5-3-2-4-6-11)18(29)22-9-15(27)23-13(19(30)31)8-14(21)26/h2-6,10,12-13,16,25H,7-9,20H2,1H3,(H2,21,26)(H,22,29)(H,23,27)(H,24,28)(H,30,31)/t10-,12+,13+,16+/m1/s1
InChI Key:
QZLONXWLHHCONG-LESCFKLSSA-N
SMILES:
O=C(N[C@H](C(=O)O)CC(=O)N)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccccc1)N
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
437.191g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
437.453g/mol
Monoisotopic Mass:
437.191g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.1
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