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289711-21-3 | Glycine, L-γ-glutamyl-S-[[[4-(methylsulfinyl)butyl]amino]thioxomethyl]-L-cysteinyl-
CAS No: 289711-21-3 Catalog No: AG002V21 MDL No:
Product Description
Catalog Number:
AG002V21
Chemical Name:
Glycine, L-γ-glutamyl-S-[[[4-(methylsulfinyl)butyl]amino]thioxomethyl]-L-cysteinyl-
CAS Number:
289711-21-3
Molecular Formula:
C16H28N4O7S3
Molecular Weight:
484.6111
IUPAC Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(4-methylsulfinylbutylcarbamothioylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C16H28N4O7S3/c1-30(27)7-3-2-6-18-16(28)29-9-11(14(24)19-8-13(22)23)20-12(21)5-4-10(17)15(25)26/h10-11H,2-9,17H2,1H3,(H,18,28)(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t10-,11-,30?/m0/s1
InChI Key:
ROARKYNVUQLTDP-QGQIPBJJSA-N
SMILES:
O=C(N[C@H](C(=O)NCC(=O)O)CSC(=S)NCCCCS(=O)C)CC[C@@H](C(=O)O)N
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
484.112g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
484.601g/mol
Monoisotopic Mass:
484.112g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
265A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
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