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70239-28-0 | N-Formyl gsh
CAS No: 70239-28-0 Catalog No: AG005KGB MDL No:
Product Description
Catalog Number:
AG005KGB
Chemical Name:
N-Formyl gsh
CAS Number:
70239-28-0
Molecular Formula:
C11H17N3O7S
Molecular Weight:
335.3336
IUPAC Name:
(2S)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-2-formamido-5-oxopentanoic acid
InChI:
InChI=1S/C11H17N3O7S/c15-5-13-6(11(20)21)1-2-8(16)14-7(4-22)10(19)12-3-9(17)18/h5-7,22H,1-4H2,(H,12,19)(H,13,15)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1
InChI Key:
ZPAVDMSDYRVQJR-BQBZGAKWSA-N
SMILES:
O=CN[C@H](C(=O)O)CCC(=O)N[C@H](C(=O)NCC(=O)O)CS
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
335.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
335.331g/mol
Monoisotopic Mass:
335.079g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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