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

Systemtic Name: (2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[(2S)-1-oxidanylidene-1-(3-phenylpropanoylamino)propan-2-yl]propanamide Openeye Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-methyl-2-oxo-2-(3-phenylpropanoylamino)ethyl]propanamide CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2S)-1-oxo-1-[(1-oxo-3-phenylpropyl)amino]propan-2-yl]propanamide IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-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)propionamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-14(20(27)24-19(26)12-9-15-5-3-2-4-6-15)23-21(28)18(22)13-16-7-10-17(25)11-8-16/h2-8,10-11,14,18,25H,9,12-13,22H2,1H3,(H,23,28)(H,24,26,27)/t14-,18-/m0/s1