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89019-56-7 | L-Leucine, N-[N-[N-(N-L-lysyl-L-phenylalanyl)-L-isoleucyl]glycyl]-
CAS No: 89019-56-7 Catalog No: AG00436I MDL No:
Product Description
Catalog Number:
AG00436I
Chemical Name:
L-Leucine, N-[N-[N-(N-L-lysyl-L-phenylalanyl)-L-isoleucyl]glycyl]-
CAS Number:
89019-56-7
Molecular Formula:
C29H48N6O6
Molecular Weight:
576.7280
IUPAC Name:
2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C29H48N6O6/c1-5-19(4)25(28(39)32-17-24(36)33-23(29(40)41)15-18(2)3)35-27(38)22(16-20-11-7-6-8-12-20)34-26(37)21(31)13-9-10-14-30/h6-8,11-12,18-19,21-23,25H,5,9-10,13-17,30-31H2,1-4H3,(H,32,39)(H,33,36)(H,34,37)(H,35,38)(H,40,41)
InChI Key:
KDJJJAREVAGKPE-UHFFFAOYSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)Cc1ccccc1)N
Properties
Complexity:
848
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
576.364g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
576.739g/mol
Monoisotopic Mass:
576.364g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
206A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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