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259198-91-9 | Glycine, N,N-dimethylglycyl-L-seryl-L-cysteinyl- (9CI)
CAS No: 259198-91-9 Catalog No: AG002R1X MDL No:
Product Description
Catalog Number:
AG002R1X
Chemical Name:
Glycine, N,N-dimethylglycyl-L-seryl-L-cysteinyl- (9CI)
CAS Number:
259198-91-9
Molecular Formula:
C12H22N4O6S
Molecular Weight:
350.3913
IUPAC Name:
2-[[(2R)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]acetic acid
InChI:
InChI=1S/C12H22N4O6S/c1-16(2)4-9(18)14-7(5-17)12(22)15-8(6-23)11(21)13-3-10(19)20/h7-8,17,23H,3-6H2,1-2H3,(H,13,21)(H,14,18)(H,15,22)(H,19,20)/t7-,8-/m0/s1
InChI Key:
QHKPTNDWCHVORR-YUMQZZPRSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)CS)NC(=O)CN(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
350.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
350.39g/mol
Monoisotopic Mass:
350.126g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.7
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