(2S)-2-azanyl-3-(4-hydroxyphenyl)-N-methyl-N-[(2S)-1-oxidanylidene-1-(3-phenylpropanoylamino)propan-2-yl]propanamide

Systemtic Name: (2S)-2-azanyl-3-(4-hydroxyphenyl)-N-methyl-N-[(2S)-1-oxidanylidene-1-(3-phenylpropanoylamino)propan-2-yl]propanamide Openeye Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[(1S)-1-methyl-2-oxo-2-(3-phenylpropanoylamino)ethyl]propanamide CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[(2S)-1-oxo-1-[(1-oxo-3-phenylpropyl)amino]propan-2-yl]propanamide IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[(2S)-1-oxo-1-(3-phenylpropanoylamino)propan-2-yl]propanamide Traditional Name: (2S)-2-amino-N-[(1S)-2-(hydrocinnamoylamino)-2-keto-1-methyl-ethyl]-3-(4-hydroxyphenyl)-N-methyl-propionamide Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)CCC1=CC=CC=C1)N(C)C(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

C[C@@H](C(=O)NC(=O)CCC1=CC=CC=C1)N(C)C(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C22H27N3O4/c1-15(21(28)24-20(27)13-10-16-6-4-3-5-7-16)25(2)22(29)19(23)14-17-8-11-18(26)12-9-17/h3-9,11-12,15,19,26H,10,13-14,23H2,1-2H3,(H,24,27,28)/t15-,19-/m0/s1