(E)-5-azanyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[(2R)-3-oxidanylidene-2-phenethyl-piperazin-1-yl]propan-2-yl]-N,5-dimethyl-hex-2-enamide

Systemtic Name: (E)-5-azanyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[(2R)-3-oxidanylidene-2-phenethyl-piperazin-1-yl]propan-2-yl]-N,5-dimethyl-hex-2-enamide Openeye Name: (E)-5-amino-N-[(1R)-1-(1H-indol-3-ylmethyl)-2-oxo-2-[(2R)-3-oxo-2-phenethyl-piperazin-1-yl]ethyl]-N,5-dimethyl-hex-2-enamide CAS Name: (E)-5-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2R)-3-oxo-2-phenethyl-1-piperazinyl]propan-2-yl]-N,5-dimethyl-2-hexenamide IUPAC Name: (E)-5-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2R)-3-oxo-2-phenethylpiperazin-1-yl]propan-2-yl]-N,5-dimethylhex-2-enamide Traditional Name: (E)-5-amino-N-[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-[(2R)-3-keto-2-phenethyl-piperazino]ethyl]-N,5-dimethyl-hex-2-enamide Formula: C31H39N5O3 MolecularWeight: 529.67306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC=CC(=O)N(C)C(CC1=CNC2=CC=CC=C21)C(=O)N3CCNC(=O)C3CCC4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C/C=C/C(=O)N(C)[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCNC(=O)[C@H]3CCC4=CC=CC=C4)N

InChI

InChI=1S/C31H39N5O3/c1-31(2,32)17-9-14-28(37)35(3)27(20-23-21-34-25-13-8-7-12-24(23)25)30(39)36-19-18-33-29(38)26(36)16-15-22-10-5-4-6-11-22/h4-14,21,26-27,34H,15-20,32H2,1-3H3,(H,33,38)/b14-9+/t26-,27-/m1/s1