1-[5-[(3R)-4-azanyl-3-methyl-4-oxidanyl-butyl]thiophen-2-yl]-5-phenyl-pentan-1-one; ethanedioic acid

Systemtic Name: 1-[5-[(3R)-4-azanyl-3-methyl-4-oxidanyl-butyl]thiophen-2-yl]-5-phenyl-pentan-1-one; ethanedioic acid Openeye Name: 1-[5-[(3R)-4-amino-4-hydroxy-3-methyl-butyl]-2-thienyl]-5-phenyl-pentan-1-one; oxalic acid CAS Name: 1-[5-[(3R)-4-amino-4-hydroxy-3-methylbutyl]-2-thiophenyl]-5-phenyl-1-pentanone; oxalic acid IUPAC Name: 1-[5-[(3R)-4-amino-4-hydroxy-3-methylbutyl]thiophen-2-yl]-5-phenylpentan-1-one; oxalic acid Traditional Name: 1-[5-[(3R)-4-amino-4-hydroxy-3-methyl-butyl]-2-thienyl]-5-phenyl-pentan-1-one; oxalic acid Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)CCCCC2=CC=CC=C2)C(N)O.C(=O)(C(=O)O)O

Isomeric SMILES

C[C@H](CCC1=CC=C(S1)C(=O)CCCCC2=CC=CC=C2)C(N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27NO2S.C2H2O4/c1-15(20(21)23)11-12-17-13-14-19(24-17)18(22)10-6-5-9-16-7-3-2-4-8-16;3-1(4)2(5)6/h2-4,7-8,13-15,20,23H,5-6,9-12,21H2,1H3;(H,3,4)(H,5,6)/t15-,20?;/m1./s1