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187794-49-6 | Glycine, N-[(1,1-dimethylethoxy)carbonyl]glycylglycyl-L-phenylalanyl-
CAS No: 187794-49-6 Catalog No: AG002GGY MDL No:
Product Description
Catalog Number:
AG002GGY
Chemical Name:
Glycine, N-[(1,1-dimethylethoxy)carbonyl]glycylglycyl-L-phenylalanyl-
CAS Number:
187794-49-6
Molecular Formula:
C20H28N4O7
Molecular Weight:
436.4589
IUPAC Name:
2-[[(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid
InChI:
InChI=1S/C20H28N4O7/c1-20(2,3)31-19(30)23-10-15(25)21-11-16(26)24-14(18(29)22-12-17(27)28)9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,25)(H,22,29)(H,23,30)(H,24,26)(H,27,28)/t14-/m0/s1
InChI Key:
PTUJJIPXBJJLLV-AWEZNQCLSA-N
SMILES:
O=C(N[C@H](C(=O)NCC(=O)O)Cc1ccccc1)CNC(=O)CNC(=O)OC(C)(C)C
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
436.196g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
436.465g/mol
Monoisotopic Mass:
436.196g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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