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(2R)-2-(N-acetylacetamido)-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid

(2R)-2-(N-acetylacetamido)-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid

CAS: 5545-17-5

Formula: C10H16N2O6S2

SMILES: CC(=O)N([C@@H](CSSC[C@H](N)C(O)=O)C(O)=O)C(C)=O

IUPAC: (2R)-2-(N-acetylacetamido)-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid

InChI: InChI=1S/C10H16N2O6S2/c1-5(13)12(6(2)14)8(10(17)18)4-20-19-3-7(11)9(15)16/h7-8H,3-4,11H2,1-2H3,(H,15,16)(H,17,18)/t7-,8-/m0/s1

Composition: C (37.03%), H (4.97%), N (8.64%), O (29.59%), S (19.77%)

Molar Mass: 324.37

Atom Count: 36

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 324.044978591
Formal Charge 0
FSP3 0.6
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
InChIKey IUBBHHOZWDBCIV-YUMQZZPRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.88
Topological Polar Surface Area 138
Polarizability 29.4
Ring Count 0
Rotatable Bond Count 8

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Purity LeadTime CAS UnitPrice
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 5545-17-5 $63.24-$684.42$63.24$156.06$285.60$684.42
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