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798540-69-9

798540-69-9 | L-Serine, L-valyl-L-cysteinyl-L-cysteinyl-

CAS No: 798540-69-9 Catalog No: AG004ZOH MDL No:

Product Description

Catalog Number:
AG004ZOH
Chemical Name:
L-Serine, L-valyl-L-cysteinyl-L-cysteinyl-
CAS Number:
798540-69-9
Molecular Formula:
C14H26N4O6S2
Molecular Weight:
410.5094
IUPAC Name:
(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C14H26N4O6S2/c1-6(2)10(15)13(22)18-9(5-26)12(21)17-8(4-25)11(20)16-7(3-19)14(23)24/h6-10,19,25-26H,3-5,15H2,1-2H3,(H,16,20)(H,17,21)(H,18,22)(H,23,24)/t7-,8-,9-,10-/m0/s1
InChI Key:
WWMGWNVVHBAQHD-XKNYDFJKSA-N
SMILES:
SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CS)NC(=O)[C@H](C(C)C)N

Properties

Complexity:
520  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
410.129g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
410.504g/mol
Monoisotopic Mass:
410.129g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.7  

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