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75607-61-3 | Glycine, L-g-glutamyl-S-(2-chloroethyl)-L-cysteinyl-(9CI)
CAS No: 75607-61-3 Catalog No: AG005AOH MDL No:
Product Description
Catalog Number:
AG005AOH
Chemical Name:
Glycine, L-g-glutamyl-S-(2-chloroethyl)-L-cysteinyl-(9CI)
CAS Number:
75607-61-3
Molecular Formula:
C12H20ClN3O6S
Molecular Weight:
369.8217
IUPAC Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C12H20ClN3O6S/c13-3-4-23-6-8(11(20)15-5-10(18)19)16-9(17)2-1-7(14)12(21)22/h7-8H,1-6,14H2,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1
InChI Key:
KJTFFUUCBPMUPH-YUMQZZPRSA-N
SMILES:
ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
UNII:
O3NB7BB10J
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
369.076g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
369.817g/mol
Monoisotopic Mass:
369.076g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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