3-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0²,¹?.0?,?.0¹²,¹?]heptadec-4-en-14-yl]butanoic acid

3-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0²,¹?.0?,?.0¹²,¹?]heptadec-4-en-14-yl]butanoic acid

Formula: C23H23N3O5S2

SMILES: CC(C)C(N1C(=O)C2C3CC(C4C3SC3=NC(=O)SC3C4C3=CN=CC=C3)C2C1=O)C(O)=O

IUPAC: 3-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0²,¹?.0?,?.0¹²,¹?]heptadec-4-en-14-yl]butanoic acid

InChI: InChI=1/C23H23N3O5S2/c1-8(2)16(22(29)30)26-20(27)14-10-6-11(15(14)21(26)28)17-13(10)12(9-4-3-5-24-7-9)18-19(32-17)25-23(31)33-18/h3-5,7-8,10-18H,6H2,1-2H3,(H,29,30)

Composition: C (56.89%), H (4.77%), N (8.65%), O (16.47%), S (13.21%)

Molar Mass: 485.57

Atom Count: 56

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	9
Exact Mass	485.107913201
Formal Charge	0
FSP3	0.57
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	DCYCNDIZHYYHKX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.96
Topological Polar Surface Area	117
Polarizability	47.84
Ring Count	6
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C23H23N3O5S2		Quote Only