6-[(2Z)-4-[(Z)-3-chloranylbut-2-enyl]-2-[2-(4-cyanophenyl)-2-oxidanylidene-ethylidene]-5-oxidanylidene-4-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

Systemtic Name: 6-[(2Z)-4-[(Z)-3-chloranylbut-2-enyl]-2-[2-(4-cyanophenyl)-2-oxidanylidene-ethylidene]-5-oxidanylidene-4-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid Openeye Name: 6-[(2Z)-4-[(Z)-3-chlorobut-2-enyl]-2-[2-(4-cyanophenyl)-2-oxo-ethylidene]-5-oxo-4-(4-pyridylmethyl)imidazolidin-1-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid CAS Name: 6-[(2Z)-4-[(Z)-3-chlorobut-2-enyl]-2-[2-(4-cyanophenyl)-2-oxoethylidene]-5-oxo-4-(pyridin-4-ylmethyl)-1-imidazolidinyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid IUPAC Name: 6-[(2Z)-4-[(Z)-3-chlorobut-2-enyl]-2-[2-(4-cyanophenyl)-2-oxoethylidene]-5-oxo-4-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid Traditional Name: 6-[(2Z)-4-[(Z)-3-chlorobut-2-enyl]-2-[2-(4-cyanophenyl)-2-keto-ethylidene]-5-keto-4-(4-pyridylmethyl)imidazolidin-1-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid Formula: C28H26ClN5O4 MolecularWeight: 531.99014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1(C(=O)N(C(=CC(=O)C2=CC=C(C=C2)C#N)N1)C3C4C3CN(C4)C(=O)O)CC5=CC=NC=C5)Cl

Isomeric SMILES

C/C(=C/CC1(C(=O)N(/C(=C\C(=O)C2=CC=C(C=C2)C#N)/N1)C3C4C3CN(C4)C(=O)O)CC5=CC=NC=C5)/Cl

InChI

InChI=1S/C28H26ClN5O4/c1-17(29)6-9-28(13-18-7-10-31-11-8-18)26(36)34(25-21-15-33(27(37)38)16-22(21)25)24(32-28)12-23(35)20-4-2-19(14-30)3-5-20/h2-8,10-12,21-22,25,32H,9,13,15-16H2,1H3,(H,37,38)/b17-6-,24-12-