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81543-10-4 | Glycinamide, N-acetyl-L-tyrosylglycyl-
CAS No: 81543-10-4 Catalog No: AG005K7A MDL No:
Product Description
Catalog Number:
AG005K7A
Chemical Name:
Glycinamide, N-acetyl-L-tyrosylglycyl-
CAS Number:
81543-10-4
Molecular Formula:
C15H20N4O5
Molecular Weight:
336.3431
IUPAC Name:
(2S)-2-acetamido-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(4-hydroxyphenyl)propanamide
InChI:
InChI=1S/C15H20N4O5/c1-9(20)19-12(6-10-2-4-11(21)5-3-10)15(24)18-8-14(23)17-7-13(16)22/h2-5,12,21H,6-8H2,1H3,(H2,16,22)(H,17,23)(H,18,24)(H,19,20)/t12-/m0/s1
InChI Key:
PKQLOAZEQQZIMI-LBPRGKRZSA-N
SMILES:
O=C(CNC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)NCC(=O)N
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
336.143g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
336.348g/mol
Monoisotopic Mass:
336.143g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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