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2-{[3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-[(benzylcarbamoyl)amino]propanoic acid

2-{[3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-[(benzylcarbamoyl)amino]propanoic acid

CAS: 916734-43-5

Formula: C23H28N4O6S2

SMILES: CC1(C)SCN(C1C(=O)NC(CNC(=O)NCC1=CC=CC=C1)C(O)=O)S(=O)(=O)C1=CC=CC=C1

IUPAC: 2-{[3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-[(benzylcarbamoyl)amino]propanoic acid

InChI: InChI=1/C23H28N4O6S2/c1-23(2)19(27(15-34-23)35(32,33)17-11-7-4-8-12-17)20(28)26-18(21(29)30)14-25-22(31)24-13-16-9-5-3-6-10-16/h3-12,18-19H,13-15H2,1-2H3,(H,26,28)(H,29,30)(H2,24,25,31)

Composition: C (53.06%), H (5.42%), N (10.76%), O (18.44%), S (12.32%)

Molar Mass: 520.62

Atom Count: 63

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 520.145026986
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey XKLHCUGVLCGKKX-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 131.27
Topological Polar Surface Area 144.91
Polarizability 51.95
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 916734-43-5 $368.44-$1,465.35$368.44$1,465.35
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