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136954-46-6 | Glycine, N-[S-(4-bromo-2,3-dioxobutyl)-N-L-γ-glutamyl-L-cysteinyl]- (9CI)
CAS No: 136954-46-6 Catalog No: AG0012LO MDL No:
Product Description
Catalog Number:
AG0012LO
Chemical Name:
Glycine, N-[S-(4-bromo-2,3-dioxobutyl)-N-L-γ-glutamyl-L-cysteinyl]- (9CI)
CAS Number:
136954-46-6
Molecular Formula:
C14H20BrN3O8S
Molecular Weight:
470.2929
IUPAC Name:
2-amino-5-[[3-(4-bromo-2,3-dioxobutyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C14H20BrN3O8S/c15-3-9(19)10(20)6-27-5-8(13(24)17-4-12(22)23)18-11(21)2-1-7(16)14(25)26/h7-8H,1-6,16H2,(H,17,24)(H,18,21)(H,22,23)(H,25,26)
InChI Key:
WLKWBQISYNUDCO-UHFFFAOYSA-N
SMILES:
BrCC(=O)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.015g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
470.291g/mol
Monoisotopic Mass:
469.015g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
218A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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