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

Systemtic Name: (2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[4-(5-methyl-2-oxidanylidene-6-phenethyl-1H-pyrazin-3-yl)butyl]propanamide hydrochloride Openeye Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[4-(5-methyl-2-oxo-6-phenethyl-1H-pyrazin-3-yl)butyl]propanamide hydrochloride CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[4-(5-methyl-2-oxo-6-phenethyl-1H-pyrazin-3-yl)butyl]propanamide hydrochloride IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[4-(5-methyl-2-oxo-6-phenethyl-1H-pyrazin-3-yl)butyl]propanamide hydrochloride Traditional Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[4-(2-keto-5-methyl-6-phenethyl-1H-pyrazin-3-yl)butyl]propionamide hydrochloride Formula: C26H33ClN4O3 MolecularWeight: 485.01822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(=N1)CCCCNC(=O)C(CC2=CC=C(C=C2)O)N)CCC3=CC=CC=C3.Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O3.ClH/c1-18-23(15-12-19-7-3-2-4-8-19)30-26(33)24(29-18)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);1H/t22-;/m0./s1