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

Systemtic Name: (2S)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-ethanoyl-1-(2-methoxyethanoyl)piperazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-(2-methoxyacetyl)piperazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxy-1-oxoethyl)-2-piperazinecarboxamide IUPAC Name: (2S)-4-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-(2-methoxyacetyl)piperazine-2-carboxamide Formula: C21H27N5O5 MolecularWeight: 429.46958

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O5/c1-13(27)25-7-8-26(19(28)12-31-2)18(11-25)21(30)24-17(20(22)29)9-14-10-23-16-6-4-3-5-15(14)16/h3-6,10,17-18,23H,7-9,11-12H2,1-2H3,(H2,22,29)(H,24,30)/t17-,18+/m1/s1