N-[(E)-7-azanyl-4-cyclohexyl-1-(1H-imidazol-5-yl)-3-oxidanylidene-hept-4-en-2-yl]-2-(tert-butylsulfonylmethyl)-3-phenyl-propanamide

Systemtic Name: N-[(E)-7-azanyl-4-cyclohexyl-1-(1H-imidazol-5-yl)-3-oxidanylidene-hept-4-en-2-yl]-2-(tert-butylsulfonylmethyl)-3-phenyl-propanamide Openeye Name: N-[(E)-6-amino-3-cyclohexyl-1-(1H-imidazol-5-ylmethyl)-2-oxo-hex-3-enyl]-2-benzyl-3-tert-butylsulfonyl-propanamide CAS Name: N-[(E)-7-amino-4-cyclohexyl-1-(1H-imidazol-5-yl)-3-oxohept-4-en-2-yl]-2-(tert-butylsulfonylmethyl)-3-phenylpropanamide IUPAC Name: N-[(E)-7-amino-4-cyclohexyl-1-(1H-imidazol-5-yl)-3-oxohept-4-en-2-yl]-2-benzyl-3-tert-butylsulfonylpropanamide Traditional Name: N-[(E)-6-amino-3-cyclohexyl-1-(1H-imidazol-5-ylmethyl)-2-keto-hex-3-enyl]-2-benzyl-3-tert-butylsulfonyl-propionamide Formula: C30H44N4O4S MolecularWeight: 556.75976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)C(=CCCN)C3CCCCC3

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)/C(=C/CCN)/C3CCCCC3

InChI

InChI=1S/C30H44N4O4S/c1-30(2,3)39(37,38)20-24(17-22-11-6-4-7-12-22)29(36)34-27(18-25-19-32-21-33-25)28(35)26(15-10-16-31)23-13-8-5-9-14-23/h4,6-7,11-12,15,19,21,23-24,27H,5,8-10,13-14,16-18,20,31H2,1-3H3,(H,32,33)(H,34,36)/b26-15+