(2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[3-(5-methyl-2-oxidanylidene-6-phenethyl-1H-pyrazin-3-yl)propyl]propanamide

Systemtic Name: (2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[3-(5-methyl-2-oxidanylidene-6-phenethyl-1H-pyrazin-3-yl)propyl]propanamide Openeye Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(5-methyl-2-oxo-6-phenethyl-1H-pyrazin-3-yl)propyl]propanamide CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(5-methyl-2-oxo-6-phenethyl-1H-pyrazin-3-yl)propyl]propanamide IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(5-methyl-2-oxo-6-phenethyl-1H-pyrazin-3-yl)propyl]propanamide Traditional Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(2-keto-5-methyl-6-phenethyl-1H-pyrazin-3-yl)propyl]propionamide Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(=N1)CCCNC(=O)C(CC2=CC=C(C=C2)O)N)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=O)C(=N1)CCCNC(=O)[C@H](CC2=CC=C(C=C2)O)N)CCC3=CC=CC=C3

InChI

InChI=1S/C25H30N4O3/c1-17-22(14-11-18-6-3-2-4-7-18)29-25(32)23(28-17)8-5-15-27-24(31)21(26)16-19-9-12-20(30)13-10-19/h2-4,6-7,9-10,12-13,21,30H,5,8,11,14-16,26H2,1H3,(H,27,31)(H,29,32)/t21-/m0/s1