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798540-00-8 | L-Methionine, L-valyl-L-asparaginyl-L-cysteinyl-
CAS No: 798540-00-8 Catalog No: AG005GQG MDL No:
Product Description
Catalog Number:
AG005GQG
Chemical Name:
L-Methionine, L-valyl-L-asparaginyl-L-cysteinyl-
CAS Number:
798540-00-8
Molecular Formula:
C17H31N5O6S2
Molecular Weight:
465.5879
IUPAC Name:
(2S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C17H31N5O6S2/c1-8(2)13(19)16(26)21-10(6-12(18)23)14(24)22-11(7-29)15(25)20-9(17(27)28)4-5-30-3/h8-11,13,29H,4-7,19H2,1-3H3,(H2,18,23)(H,20,25)(H,21,26)(H,22,24)(H,27,28)/t9-,10-,11-,13-/m0/s1
InChI Key:
JAJRTVWFKJCVLL-ZPFDUUQYSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CC(=O)N)CS
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
465.172g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
465.584g/mol
Monoisotopic Mass:
465.172g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
220A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8
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