methyl 4-[(2R)-3-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-2-methyl-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Update Time: 2025-04-25 16:31:57

	Common Name	methyl 4-[(2R)-3-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-2-methyl-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate	English Name	methyl 4-[(2R)-3-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-2-methyl-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
	CAS NO.	N/A	Molecular Weight	436.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₂H₃₂N₂O₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	methyl 4-[(2R)-3-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-2-methyl-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Molecular Formula	C22H32N2O5S
Molecular Weight	436.6
Exact Mass	436.20319330
LogP	3.70
Standard SMILES	COC(=O)c1[nH]c(C)c(CC(C)C(=O)N2C3CC4CCC3(CS2(=O)=O)C4(C)C)c1C
Canonical SMILES	CC1=C(NC(=C1CC(C)C(=O)N2C3CC4CCC3(C4(C)C)CS2(=O)=O)C)C(=O)OC
Isomeric SMILES	CC1=C(NC(=C1C[C@@H](C)C(=O)N2[C@@H]3C[C@H]4CC[C@@]3(C4(C)C)CS2(=O)=O)C)C(=O)OC
Standard InChI Identifier	InChI=1S/C22H32N2O5S/c1-12(9-16-13(2)18(20(26)29-6)23-14(16)3)19(25)24-17-10-15-7-8-22(17,21(15,4)5)11-30(24,27)28/h12,15,17,23H,7-11H2,1-6H3/t12-,15-,17-,22-/m1/s1
Standard InChI Key	GVFASMWHYTZNFL-BQCJPAOWSA-N
Compound Complexity	850.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：1 Rotatable Bond Count：5 Heavy Atom Count：30 Total Chiral Atom Count：4 Defined Chiral Atom Count：4 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：436.20319330