1-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-cyclohexyl-amino]-2-(3-azanylpropyl)-N-(4-nitrophenyl)-3-propyl-cyclopropane-1-carboxamide

Systemtic Name: 1-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-cyclohexyl-amino]-2-(3-azanylpropyl)-N-(4-nitrophenyl)-3-propyl-cyclopropane-1-carboxamide Openeye Name: 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-cyclohexyl-amino]-2-(3-aminopropyl)-N-(4-nitrophenyl)-3-propyl-cyclopropanecarboxamide CAS Name: 1-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-cyclohexylamino]-2-(3-aminopropyl)-N-(4-nitrophenyl)-3-propyl-1-cyclopropanecarboxamide IUPAC Name: 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-cyclohexylamino]-2-(3-aminopropyl)-N-(4-nitrophenyl)-3-propylcyclopropane-1-carboxamide Traditional Name: 2-(3-aminopropyl)-1-[cyclohexyl(tyrosyl)amino]-N-(4-nitrophenyl)-3-propyl-cyclopropanecarboxamide Formula: C31H43N5O5 MolecularWeight: 565.70362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C1(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N(C3CCCCC3)C(=O)C(CC4=CC=C(C=C4)O)N)CCCN

Isomeric SMILES

CCCC1C(C1(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N(C3CCCCC3)C(=O)C(CC4=CC=C(C=C4)O)N)CCCN

InChI

InChI=1S/C31H43N5O5/c1-2-7-26-27(10-6-19-32)31(26,30(39)34-22-13-15-24(16-14-22)36(40)41)35(23-8-4-3-5-9-23)29(38)28(33)20-21-11-17-25(37)18-12-21/h11-18,23,26-28,37H,2-10,19-20,32-33H2,1H3,(H,34,39)