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896099-82-4 | L-Proline, L-leucyl-L-lysyl-L-alanyl-L-leucyl-
CAS No: 896099-82-4 Catalog No: AG003XFM MDL No:
Product Description
Catalog Number:
AG003XFM
Chemical Name:
L-Proline, L-leucyl-L-lysyl-L-alanyl-L-leucyl-
CAS Number:
896099-82-4
Molecular Formula:
C26H48N6O6
Molecular Weight:
540.6959
IUPAC Name:
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C26H48N6O6/c1-15(2)13-18(28)23(34)30-19(9-6-7-11-27)24(35)29-17(5)22(33)31-20(14-16(3)4)25(36)32-12-8-10-21(32)26(37)38/h15-21H,6-14,27-28H2,1-5H3,(H,29,35)(H,30,34)(H,31,33)(H,37,38)/t17-,18-,19-,20-,21-/m0/s1
InChI Key:
MZOUPGRMNBWNNA-SXYSDOLCSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CC(C)C)C)NC(=O)[C@H](CC(C)C)N
Properties
Complexity:
820
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
540.364g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
540.706g/mol
Monoisotopic Mass:
540.364g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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