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

Systemtic Name: (2S)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-ethanoyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-(thiophene-2-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(thiophene-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-(2-thenoyl)piperazine-2-carboxamide Formula: C23H25N5O4S MolecularWeight: 467.5407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)C4=CC=CS4

Isomeric SMILES

CC(=O)N1CCN([C@@H](C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H25N5O4S/c1-14(29)27-8-9-28(23(32)20-7-4-10-33-20)19(13-27)22(31)26-18(21(24)30)11-15-12-25-17-6-3-2-5-16(15)17/h2-7,10,12,18-19,25H,8-9,11,13H2,1H3,(H2,24,30)(H,26,31)/t18-,19+/m1/s1