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919988-89-9 | L-Leucine, L-alanyl-L-phenylalanylglycyl-L-lysyl-
CAS No: 919988-89-9 Catalog No: AG006GC0 MDL No:
Product Description
Catalog Number:
AG006GC0
Chemical Name:
L-Leucine, L-alanyl-L-phenylalanylglycyl-L-lysyl-
CAS Number:
919988-89-9
Molecular Formula:
C26H42N6O6
Molecular Weight:
534.6483
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C26H42N6O6/c1-16(2)13-21(26(37)38)32-25(36)19(11-7-8-12-27)30-22(33)15-29-24(35)20(31-23(34)17(3)28)14-18-9-5-4-6-10-18/h4-6,9-10,16-17,19-21H,7-8,11-15,27-28H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)(H,32,36)(H,37,38)/t17-,19-,20-,21-/m0/s1
InChI Key:
BGJCEMNPAZHKGZ-VMXMFDLUSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C
Properties
Complexity:
786
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
534.317g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
534.658g/mol
Monoisotopic Mass:
534.317g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
206A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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