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798540-06-4 | L-Methionine, L-seryl-L-phenylalanyl-L-lysyl-
CAS No: 798540-06-4 Catalog No: AG00564H MDL No:
Product Description
Catalog Number:
AG00564H
Chemical Name:
L-Methionine, L-seryl-L-phenylalanyl-L-lysyl-
CAS Number:
798540-06-4
Molecular Formula:
C23H37N5O6S
Molecular Weight:
511.6348
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C23H37N5O6S/c1-35-12-10-18(23(33)34)27-21(31)17(9-5-6-11-24)26-22(32)19(28-20(30)16(25)14-29)13-15-7-3-2-4-8-15/h2-4,7-8,16-19,29H,5-6,9-14,24-25H2,1H3,(H,26,32)(H,27,31)(H,28,30)(H,33,34)/t16-,17-,18-,19-/m0/s1
InChI Key:
GXKNIGGTFJRSNW-VJANTYMQSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCSC)NC(=O)[C@@H](NC(=O)[C@H](CO)N)Cc1ccccc1
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
511.246g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
511.638g/mol
Monoisotopic Mass:
511.246g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
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