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798540-60-0 | L-Serine, L-leucyl-L-cysteinyl-L-methionyl-
CAS No: 798540-60-0 Catalog No: AG004ZOI MDL No:
Product Description
Catalog Number:
AG004ZOI
Chemical Name:
L-Serine, L-leucyl-L-cysteinyl-L-methionyl-
CAS Number:
798540-60-0
Molecular Formula:
C17H32N4O6S2
Molecular Weight:
452.5892
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C17H32N4O6S2/c1-9(2)6-10(18)14(23)21-13(8-28)16(25)19-11(4-5-29-3)15(24)20-12(7-22)17(26)27/h9-13,22,28H,4-8,18H2,1-3H3,(H,19,25)(H,20,24)(H,21,23)(H,26,27)/t10-,11-,12-,13-/m0/s1
InChI Key:
BRZVWIWPHHSKAH-CYDGBPFRSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CS
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
452.176g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
452.585g/mol
Monoisotopic Mass:
452.176g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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