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

Systemtic Name: (2S)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-ethanoyl-1-methylsulfonyl-piperazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-methylsulfonyl-piperazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-methylsulfonyl-2-piperazinecarboxamide IUPAC Name: (2S)-4-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-methylsulfonylpiperazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-mesyl-piperazine-2-carboxamide Formula: C19H25N5O5S MolecularWeight: 435.4973

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O5S/c1-12(25)23-7-8-24(30(2,28)29)17(11-23)19(27)22-16(18(20)26)9-13-10-21-15-6-4-3-5-14(13)15/h3-6,10,16-17,21H,7-9,11H2,1-2H3,(H2,20,26)(H,22,27)/t16-,17+/m1/s1