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823233-27-8 | L-Leucine, L-leucyl-L-methionyl-L-lysyl-L-isoleucyl-
CAS No: 823233-27-8 Catalog No: AG004YRL MDL No:
Product Description
Catalog Number:
AG004YRL
Chemical Name:
L-Leucine, L-leucyl-L-methionyl-L-lysyl-L-isoleucyl-
CAS Number:
823233-27-8
Molecular Formula:
C29H56N6O6S
Molecular Weight:
616.8565
IUPAC Name:
(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C29H56N6O6S/c1-8-19(6)24(28(39)34-23(29(40)41)16-18(4)5)35-27(38)21(11-9-10-13-30)33-26(37)22(12-14-42-7)32-25(36)20(31)15-17(2)3/h17-24H,8-16,30-31H2,1-7H3,(H,32,36)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t19-,20-,21-,22-,23-,24-/m0/s1
InChI Key:
NGWSXOMDQDPHJY-BTNSXGMBSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CCSC
Properties
Complexity:
859
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
616.398g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
616.863g/mol
Monoisotopic Mass:
616.398g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
231A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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