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113668-38-5 | Glycine, N-[S-(chloroacetyl)-N-L-γ-glutamyl-L-cysteinyl]- (9CI)
CAS No: 113668-38-5 Catalog No: AG00099O MDL No:
Product Description
Catalog Number:
AG00099O
Chemical Name:
Glycine, N-[S-(chloroacetyl)-N-L-γ-glutamyl-L-cysteinyl]- (9CI)
CAS Number:
113668-38-5
Molecular Formula:
C12H18ClN3O7S
Molecular Weight:
383.8052
IUPAC Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C12H18ClN3O7S/c13-3-10(20)24-5-7(11(21)15-4-9(18)19)16-8(17)2-1-6(14)12(22)23/h6-7H,1-5,14H2,(H,15,21)(H,16,17)(H,18,19)(H,22,23)/t6-,7-/m0/s1
InChI Key:
QJDRMMRBPVHMAD-BQBZGAKWSA-N
SMILES:
ClCC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
383.055g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
383.8g/mol
Monoisotopic Mass:
383.055g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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