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821772-80-9 | Glycine, L-leucyl-L-prolyl-L-glutaminyl-L-alanyl-
CAS No: 821772-80-9 Catalog No: AG0051G5 MDL No:
Product Description
Catalog Number:
AG0051G5
Chemical Name:
Glycine, L-leucyl-L-prolyl-L-glutaminyl-L-alanyl-
CAS Number:
821772-80-9
Molecular Formula:
C21H36N6O7
Molecular Weight:
484.5465
IUPAC Name:
2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]acetic acid
InChI:
InChI=1S/C21H36N6O7/c1-11(2)9-13(22)21(34)27-8-4-5-15(27)20(33)26-14(6-7-16(23)28)19(32)25-12(3)18(31)24-10-17(29)30/h11-15H,4-10,22H2,1-3H3,(H2,23,28)(H,24,31)(H,25,32)(H,26,33)(H,29,30)/t12-,13-,14-,15-/m0/s1
InChI Key:
OTHDSRCRGXVPRR-AJNGGQMLSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)C)CCC(=O)N)N)C
Properties
Complexity:
788
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
484.265g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
484.554g/mol
Monoisotopic Mass:
484.265g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.4
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