About (2S)-3,5-dihydroxyoxane-2-carboxylic acid;N-[3-methoxy-1-[(2S)-2-[1-methoxy-3-[(2-methoxy-2-phenylethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
(2S)-3,5-dihydroxyoxane-2-carboxylic acid;N-[3-methoxy-1-[(2S)-2-[1-methoxy-3-[(2-methoxy-2-phenylethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide (PubChem CID 164901937) has the molecular formula C39H65N3O11
and a molecular weight of 751.96 g/mol. Its IUPAC name is (2S)-3,5-dihydroxyoxane-2-carboxylic acid;N-[3-methoxy-1-[(2S)-2-[1-methoxy-3-[(2-methoxy-2-phenylethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide.
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Frequently Asked Questions
What is the IUPAC name of (2S)-3,5-dihydroxyoxane-2-carboxylic acid;N-[3-methoxy-1-[(2S)-2-[1-methoxy-3-[(2-methoxy-2-phenylethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-3,5-dihydroxyoxane-2-carboxylic acid;N-[3-methoxy-1-[(2S)-2-[1-methoxy-3-[(2-methoxy-2-phenylethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide (CID 164901937) is (2S)-3,5-dihydroxyoxane-2-carboxylic acid;N-[3-methoxy-1-[(2S)-2-[1-methoxy-3-[(2-methoxy-2-phenylethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-3,5-dihydroxyoxane-2-carboxylic acid;N-[3-methoxy-1-[(2S)-2-[1-methoxy-3-[(2-methoxy-2-phenylethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-3,5-dihydroxyoxane-2-carboxylic acid;N-[3-methoxy-1-[(2S)-2-[1-methoxy-3-[(2-methoxy-2-phenylethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide is CCC(C)C(C(CC(=O)N1CCC[C@H]1C(OC)C(C)C(=O)NCC(OC)c1ccccc1)OC)N(C)C(=O)CC(C)C.O=C(O)[C@H]1OCC(O)CC1O.
What is the InChIKey of (2S)-3,5-dihydroxyoxane-2-carboxylic acid;N-[3-methoxy-1-[(2S)-2-[1-methoxy-3-[(2-methoxy-2-phenylethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide?
The InChIKey is YGTFFZDNEYSMGY-WLAYJURGSA-N. The full InChI is InChI=1S/C33H55N3O6.C6H10O5/c1-10-23(4)31(35(6)29(37)19-22(2)3)27(40-7)20-30(38)36-18-14-17-26(36)32(42-9)24(5)33(39)34-21-28(41-8)25-15-12-11-13-16-25;7-3-1-4(8)5(6(9)10)11-2-3/h11-13,15-16,22-24,26-28,31-32H,10,14,17-21H2,1-9H3,(H,34,39);3-5,7-8H,1-2H2,(H,9,10)/t23?,24?,26-,27?,28?,31?,32?;3?,4?,5-/m00/s1.
What are the key properties of (2S)-3,5-dihydroxyoxane-2-carboxylic acid;N-[3-methoxy-1-[(2S)-2-[1-methoxy-3-[(2-methoxy-2-phenylethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide?
(2S)-3,5-dihydroxyoxane-2-carboxylic acid;N-[3-methoxy-1-[(2S)-2-[1-methoxy-3-[(2-methoxy-2-phenylethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide has a molecular weight of 751.96 g/mol, XLogP of 3.04, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,5-dihydroxyoxane-2-carboxylic acid;N-[3-methoxy-1-[(2S)-2-[1-methoxy-3-[(2-methoxy-2-phenylethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide is sourced from PubChem (CID 164901937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).