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114216-64-7 | Glycinamide, D-tyrosyl-L-prolyl-L-leucyl- (9CI)
CAS No: 114216-64-7 Catalog No: AG000ATN MDL No:
Product Description
Catalog Number:
AG000ATN
Chemical Name:
Glycinamide, D-tyrosyl-L-prolyl-L-leucyl- (9CI)
CAS Number:
114216-64-7
Molecular Formula:
C22H33N5O5
Molecular Weight:
447.5279
IUPAC Name:
1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C22H33N5O5/c1-13(2)10-17(20(30)25-12-19(24)29)26-21(31)18-4-3-9-27(18)22(32)16(23)11-14-5-7-15(28)8-6-14/h5-8,13,16-18,28H,3-4,9-12,23H2,1-2H3,(H2,24,29)(H,25,30)(H,26,31)
InChI Key:
FEARKJXFXOBPLB-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(cc1)O)N)C
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.248g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
447.536g/mol
Monoisotopic Mass:
447.248g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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