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28747-20-8 | Glycine, L-γ-glutamyl-S-(2-hydroxyethyl)-L-cysteinyl- (9CI)
CAS No: 28747-20-8 Catalog No: AG002WC2 MDL No:
Product Description
Catalog Number:
AG002WC2
Chemical Name:
Glycine, L-γ-glutamyl-S-(2-hydroxyethyl)-L-cysteinyl- (9CI)
CAS Number:
28747-20-8
Molecular Formula:
C12H21N3O7S
Molecular Weight:
351.3760
IUPAC Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxyethylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C12H21N3O7S/c13-7(12(21)22)1-2-9(17)15-8(6-23-4-3-16)11(20)14-5-10(18)19/h7-8,16H,1-6,13H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1
InChI Key:
UUZCUSQQEJSIHR-YUMQZZPRSA-N
SMILES:
OCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
351.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
351.374g/mol
Monoisotopic Mass:
351.11g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.8
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