Valnemulin

• Catalog Number: ACM101312929
• Product Name: Valnemulin
• CAS: 101312-92-9
• Category: Heterocyclic Organic Compound
• Synonyms: VALNEMULIN;2-[[2-[[(2R)-2-Amino-3-methyl-1-oxobutyl]amino]-1,1-dimethylethyl]thio]acetic Acid (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyldecahydro-5-hydroxy-4,6,9,10- tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl Ester
• Molecular Weight: 566.84
• Molecular Formula: C₃₁H₅₄N₂O₅S
• Melting Point: 140-143°C

Custom Q&A

What is the PubChem CID for Valnemulin?

The PubChem CID for Valnemulin is 9850878.

What is the molecular formula of Valnemulin?

The molecular formula of Valnemulin is C31H52N2O5S.

What is the molecular weight of Valnemulin?

The molecular weight of Valnemulin is 564.8 g/mol.

When was Valnemulin created?

Valnemulin was created on October 25, 2006.

When was Valnemulin last modified?

Valnemulin was last modified on December 30, 2023.

What is the IUPAC name of Valnemulin?

The IUPAC name of Valnemulin is [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropan-2-yl]sulfanylacetate.

What is the InChI of Valnemulin?

The InChI of Valnemulin is InChI=1S/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)/t19-,20+,22-,24-,25+,26+,29-,30+,31+/m1/s1.

What is the InChIKey of Valnemulin?

The InChIKey of Valnemulin is LLYYNOVSVPBRGV-MVNKZKPCSA-N.

What is the canonical SMILES of Valnemulin?

The canonical SMILES of Valnemulin is CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)C.

What is the CAS number of Valnemulin?

The CAS number of Valnemulin is 101312-92-9.