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101912-24-7 | L-Lysine, L-leucyl-L-isoleucyl-L-phenylalanyl-L-alanylglycyl-
CAS No: 101912-24-7 Catalog No: AG0005Y2 MDL No:
Product Description
Catalog Number:
AG0005Y2
Chemical Name:
L-Lysine, L-leucyl-L-isoleucyl-L-phenylalanyl-L-alanylglycyl-
CAS Number:
101912-24-7
Molecular Formula:
C32H53N7O7
Molecular Weight:
647.8059
IUPAC Name:
6-amino-2-[[2-[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]acetyl]amino]hexanoic acid
InChI:
InChI=1S/C32H53N7O7/c1-6-20(4)27(39-29(42)23(34)16-19(2)3)31(44)38-25(17-22-12-8-7-9-13-22)30(43)36-21(5)28(41)35-18-26(40)37-24(32(45)46)14-10-11-15-33/h7-9,12-13,19-21,23-25,27H,6,10-11,14-18,33-34H2,1-5H3,(H,35,41)(H,36,43)(H,37,40)(H,38,44)(H,39,42)(H,45,46)
InChI Key:
ZFBLNWNKVFKSFM-UHFFFAOYSA-N
SMILES:
NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](CC(C)C)N)Cc1ccccc1)C
Properties
Complexity:
1000
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
647.401g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
647.818g/mol
Monoisotopic Mass:
647.401g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
235A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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