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

Systemtic Name: (2S)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1,4-diethanoyl-piperazine-2-carboxamide Openeye Name: (2S)-1,4-diacetyl-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]piperazine-2-carboxamide CAS Name: (2S)-1,4-diacetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-piperazinecarboxamide IUPAC Name: (2S)-1,4-diacetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperazine-2-carboxamide Traditional Name: (2S)-1,4-diacetyl-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]piperazine-2-carboxamide Formula: C20H25N5O4 MolecularWeight: 399.4436

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-12(26)24-7-8-25(13(2)27)18(11-24)20(29)23-17(19(21)28)9-14-10-22-16-6-4-3-5-15(14)16/h3-6,10,17-18,22H,7-9,11H2,1-2H3,(H2,21,28)(H,23,29)/t17-,18+/m1/s1