1-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine

Systemtic Name: 1-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine Openeye Name: 1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-2,3-bis[(1S)-1-phenylethyl]guanidine CAS Name: 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine IUPAC Name: 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine Traditional Name: 1-[(1S)-2-methyl-1-methylol-propyl]-2,3-bis[(1S)-1-phenylethyl]guanidine Formula: C22H31N3O MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC(=NC(C)C1=CC=CC=C1)NC(C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=N[C@@H](C)C2=CC=CC=C2)N[C@H](CO)C(C)C

InChI

InChI=1S/C22H31N3O/c1-16(2)21(15-26)25-22(23-17(3)19-11-7-5-8-12-19)24-18(4)20-13-9-6-10-14-20/h5-14,16-18,21,26H,15H2,1-4H3,(H2,23,24,25)/t17-,18-,21+/m0/s1