[3-(4-hydroxyphenyl)-1-[4-[5-methyl-2-oxidanylidene-6-[3-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]propyl]-1H-pyrazin-3-yl]butylamino]-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [3-(4-hydroxyphenyl)-1-[4-[5-methyl-2-oxidanylidene-6-[3-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]propyl]-1H-pyrazin-3-yl]butylamino]-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [2-[4-[6-[3-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-3-oxo-propyl]-5-methyl-2-oxo-1H-pyrazin-3-yl]butylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]ammonium chloride CAS Name: [1-[4-[6-[3-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]-5-methyl-2-oxo-1H-pyrazin-3-yl]butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [1-[4-[6-[3-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]-5-methyl-2-oxo-1H-pyrazin-3-yl]butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium chloride Traditional Name: [2-[4-[6-[3-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-3-keto-propyl]-2-keto-5-methyl-1H-pyrazin-3-yl]butylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]ammonium chloride Formula: C30H38ClN5O6 MolecularWeight: 600.10562

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)[NH3+])CCC(=O)NC(CC3=CC=CC=C3)C(=O)O.[Cl-]

Isomeric SMILES

CC1=C(NC(=O)C(=N1)CCCCNC(=O)C(CC2=CC=C(C=C2)O)[NH3+])CCC(=O)NC(CC3=CC=CC=C3)C(=O)O.[Cl-]

InChI

InChI=1S/C30H37N5O6.ClH/c1-19-24(14-15-27(37)34-26(30(40)41)18-20-7-3-2-4-8-20)35-29(39)25(33-19)9-5-6-16-32-28(38)23(31)17-21-10-12-22(36)13-11-21;/h2-4,7-8,10-13,23,26,36H,5-6,9,14-18,31H2,1H3,(H,32,38)(H,34,37)(H,35,39)(H,40,41);1H