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

Systemtic Name: (2S)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-ethanoyl-4-(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: (2S)-1-acetyl-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-(benzenesulfonyl)piperazine-2-carboxamide CAS Name: (2S)-1-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(benzenesulfonyl)-2-piperazinecarboxamide IUPAC Name: (2S)-1-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(benzenesulfonyl)piperazine-2-carboxamide Traditional Name: (2S)-1-acetyl-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-besyl-piperazine-2-carboxamide Formula: C24H27N5O5S MolecularWeight: 497.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(C[C@H]1C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O5S/c1-16(30)29-12-11-28(35(33,34)18-7-3-2-4-8-18)15-22(29)24(32)27-21(23(25)31)13-17-14-26-20-10-6-5-9-19(17)20/h2-10,14,21-22,26H,11-13,15H2,1H3,(H2,25,31)(H,27,32)/t21-,22+/m1/s1