2-[2-(benzylsulfanyl)acetamido]-5-({4-[2-(benzylsulfanyl)acetamido]-3-carboxyphenyl}methyl)benzoic acid

2-[2-(benzylsulfanyl)acetamido]-5-({4-[2-(benzylsulfanyl)acetamido]-3-carboxyphenyl}methyl)benzoic acid

Formula: C33H30N2O6S2

SMILES: OC(=O)C1=CC(CC2=CC=C(NC(=O)CSCC3=CC=CC=C3)C(=C2)C(O)=O)=CC=C1NC(=O)CSCC1=CC=CC=C1

IUPAC: 2-[2-(benzylsulfanyl)acetamido]-5-({4-[2-(benzylsulfanyl)acetamido]-3-carboxyphenyl}methyl)benzoic acid

InChI: InChI=1S/C33H30N2O6S2/c36-30(20-42-18-22-7-3-1-4-8-22)34-28-13-11-24(16-26(28)32(38)39)15-25-12-14-29(27(17-25)33(40)41)35-31(37)21-43-19-23-9-5-2-6-10-23/h1-14,16-17H,15,18-21H2,(H,34,36)(H,35,37)(H,38,39)(H,40,41)

Composition: C (64.48%), H (4.92%), N (4.56%), O (15.62%), S (10.43%)

Molar Mass: 614.73

Atom Count: 73

Heavy Atom Count: 43

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	614.154529042
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
InChIKey	MUKHUXNGZHPFNI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	174.32
Topological Polar Surface Area	132.8
Polarizability	65.1
Ring Count	4
Rotatable Bond Count	14

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C33H30N2O6S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00