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798540-01-9 | L-Methionine, L-valyl-L-seryl-L-cysteinyl-
CAS No: 798540-01-9 Catalog No: AG005GQF MDL No:
Product Description
Catalog Number:
AG005GQF
Chemical Name:
L-Methionine, L-valyl-L-seryl-L-cysteinyl-
CAS Number:
798540-01-9
Molecular Formula:
C16H30N4O6S2
Molecular Weight:
438.5626
IUPAC Name:
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C16H30N4O6S2/c1-8(2)12(17)15(24)19-10(6-21)13(22)20-11(7-27)14(23)18-9(16(25)26)4-5-28-3/h8-12,21,27H,4-7,17H2,1-3H3,(H,18,23)(H,19,24)(H,20,22)(H,25,26)/t9-,10-,11-,12-/m0/s1
InChI Key:
JXYZZKILXXKIRB-BJDJZHNGSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CO)CS
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
438.161g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
438.558g/mol
Monoisotopic Mass:
438.161g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
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