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157849-46-2 | L-Isoleucine, L-isoleucyl-L-lysyl-L-leucyl-L-leucyl-
CAS No: 157849-46-2 Catalog No: AG001PQZ MDL No:
Product Description
Catalog Number:
AG001PQZ
Chemical Name:
L-Isoleucine, L-isoleucyl-L-lysyl-L-leucyl-L-leucyl-
CAS Number:
157849-46-2
Molecular Formula:
C30H58N6O6
Molecular Weight:
598.8181
IUPAC Name:
(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid
InChI:
InChI=1S/C30H58N6O6/c1-9-19(7)24(32)29(40)33-21(13-11-12-14-31)26(37)34-22(15-17(3)4)27(38)35-23(16-18(5)6)28(39)36-25(30(41)42)20(8)10-2/h17-25H,9-16,31-32H2,1-8H3,(H,33,40)(H,34,37)(H,35,38)(H,36,39)(H,41,42)/t19-,20-,21-,22-,23-,24-,25-/m0/s1
InChI Key:
MDISFAGVYPGSNC-HUVRVWIJSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)CC(C)C)CC(C)C)NC(=O)[C@H]([C@H](CC)C)N
Properties
Complexity:
867
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
598.442g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
598.83g/mol
Monoisotopic Mass:
598.442g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
206A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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