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

Systemtic Name: (2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[4-(3-methyl-6-oxidanylidene-5-phenethyl-1H-pyrazin-2-yl)butyl]propanamide Openeye Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[4-(3-methyl-6-oxo-5-phenethyl-1H-pyrazin-2-yl)butyl]propanamide CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[4-(3-methyl-6-oxo-5-phenethyl-1H-pyrazin-2-yl)butyl]propanamide IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[4-(3-methyl-6-oxo-5-phenethyl-1H-pyrazin-2-yl)butyl]propanamide Traditional Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[4-(6-keto-3-methyl-5-phenethyl-1H-pyrazin-2-yl)butyl]propionamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(=N1)CCC2=CC=CC=C2)CCCCNC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CC1=C(NC(=O)C(=N1)CCC2=CC=CC=C2)CCCCNC(=O)[C@H](CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C26H32N4O3/c1-18-23(30-26(33)24(29-18)15-12-19-7-3-2-4-8-19)9-5-6-16-28-25(32)22(27)17-20-10-13-21(31)14-11-20/h2-4,7-8,10-11,13-14,22,31H,5-6,9,12,15-17,27H2,1H3,(H,28,32)(H,30,33)/t22-/m0/s1