(2S)-2-azanyl-N-[(4-hydroxyphenyl)-[[(2S)-2-oxidanyl-4-phenyl-butyl]amino]methyl]-3-methyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-[(4-hydroxyphenyl)-[[(2S)-2-oxidanyl-4-phenyl-butyl]amino]methyl]-3-methyl-butanamide Openeye Name: (2S)-2-amino-N-[(4-hydroxyphenyl)-[[(2S)-2-hydroxy-4-phenyl-butyl]amino]methyl]-3-methyl-butanamide CAS Name: (2S)-2-amino-N-[(4-hydroxyphenyl)-[[(2S)-2-hydroxy-4-phenylbutyl]amino]methyl]-3-methylbutanamide IUPAC Name: (2S)-2-amino-N-[(4-hydroxyphenyl)-[[(2S)-2-hydroxy-4-phenylbutyl]amino]methyl]-3-methylbutanamide Traditional Name: (2S)-2-amino-N-[(4-hydroxyphenyl)-[[(2S)-2-hydroxy-4-phenyl-butyl]amino]methyl]-3-methyl-butyramide Formula: C22H31N3O3 MolecularWeight: 385.49984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C1=CC=C(C=C1)O)NCC(CCC2=CC=CC=C2)O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(C1=CC=C(C=C1)O)NC[C@H](CCC2=CC=CC=C2)O)N

InChI

InChI=1S/C22H31N3O3/c1-15(2)20(23)22(28)25-21(17-9-12-18(26)13-10-17)24-14-19(27)11-8-16-6-4-3-5-7-16/h3-7,9-10,12-13,15,19-21,24,26-27H,8,11,14,23H2,1-2H3,(H,25,28)/t19-,20-,21?/m0/s1