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113480-19-6 | Glycine, L-tyrosyl-L-prolyl-L-leucyl-
CAS No: 113480-19-6 Catalog No: AG0008QA MDL No:
Product Description
Catalog Number:
AG0008QA
Chemical Name:
Glycine, L-tyrosyl-L-prolyl-L-leucyl-
CAS Number:
113480-19-6
Molecular Formula:
C22H32N4O6
Molecular Weight:
448.5127
IUPAC Name:
2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetic acid
InChI:
InChI=1S/C22H32N4O6/c1-13(2)10-17(20(30)24-12-19(28)29)25-21(31)18-4-3-9-26(18)22(32)16(23)11-14-5-7-15(27)8-6-14/h5-8,13,16-18,27H,3-4,9-12,23H2,1-2H3,(H,24,30)(H,25,31)(H,28,29)/t16-,17-,18-/m0/s1
InChI Key:
WPXFILQZNKUYQO-BZSNNMDCSA-N
SMILES:
CC(C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)N)C
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
448.232g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
448.52g/mol
Monoisotopic Mass:
448.232g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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