(3R)-N3-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-N1-propan-2-yl-4-thiophen-2-ylcarbonyl-piperazine-1,3-dicarboxamide

Systemtic Name: (3R)-N3-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-N1-propan-2-yl-4-thiophen-2-ylcarbonyl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N3-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-N1-isopropyl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3R)-N3-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[oxo(thiophen-2-yl)methyl]-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-3-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide Traditional Name: (3R)-N'-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-N-isopropyl-4-(2-thenoyl)piperazine-1,3-dicarboxamide Formula: C25H30N6O4S MolecularWeight: 510.6085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)NC(=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/C25H30N6O4S/c1-15(2)28-25(35)30-9-10-31(24(34)21-8-5-11-36-21)20(14-30)23(33)29-19(22(26)32)12-16-13-27-18-7-4-3-6-17(16)18/h3-8,11,13,15,19-20,27H,9-10,12,14H2,1-2H3,(H2,26,32)(H,28,35)(H,29,33)/t19-,20-/m1/s1