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

Systemtic Name: 2-azanyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[(2R)-3-oxidanylidene-2-phenethyl-piperazin-1-yl]propan-2-yl]-N,2-dimethyl-propanamide Openeye Name: 2-amino-N-[(1R)-1-(1H-indol-3-ylmethyl)-2-oxo-2-[(2R)-3-oxo-2-phenethyl-piperazin-1-yl]ethyl]-N,2-dimethyl-propanamide CAS Name: 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2R)-3-oxo-2-phenethyl-1-piperazinyl]propan-2-yl]-N,2-dimethylpropanamide IUPAC Name: 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2R)-3-oxo-2-phenethylpiperazin-1-yl]propan-2-yl]-N,2-dimethylpropanamide Traditional Name: 2-amino-N-[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-[(2R)-3-keto-2-phenethyl-piperazino]ethyl]-N,2-dimethyl-propionamide Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C28H35N5O3/c1-28(2,29)27(36)32(3)24(17-20-18-31-22-12-8-7-11-21(20)22)26(35)33-16-15-30-25(34)23(33)14-13-19-9-5-4-6-10-19/h4-12,18,23-24,31H,13-17,29H2,1-3H3,(H,30,34)/t23-,24-/m1/s1