(2S)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-cyclohexylcarbonyl-4-ethanoyl-piperazine-2-carboxamide

Systemtic Name: (2S)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-cyclohexylcarbonyl-4-ethanoyl-piperazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-(cyclohexanecarbonyl)piperazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[cyclohexyl(oxo)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(cyclohexanecarbonyl)piperazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-(cyclohexanecarbonyl)piperazine-2-carboxamide Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)C4CCCCC4

Isomeric SMILES

CC(=O)N1CCN([C@@H](C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)C4CCCCC4

InChI

InChI=1S/C25H33N5O4/c1-16(31)29-11-12-30(25(34)17-7-3-2-4-8-17)22(15-29)24(33)28-21(23(26)32)13-18-14-27-20-10-6-5-9-19(18)20/h5-6,9-10,14,17,21-22,27H,2-4,7-8,11-13,15H2,1H3,(H2,26,32)(H,28,33)/t21-,22+/m1/s1