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

Systemtic Name: (3S)-N3-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-N1-phenyl-4-thiophen-2-ylcarbonyl-piperazine-1,3-dicarboxamide Openeye Name: (3S)-N3-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-N1-phenyl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3S)-N3-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[oxo(thiophen-2-yl)methyl]-N1-phenylpiperazine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N-phenyl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide Traditional Name: (3S)-N'-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-N-phenyl-4-(2-thenoyl)piperazine-1,3-dicarboxamide Formula: C28H28N6O4S MolecularWeight: 544.62472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)NC2=CC=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN([C@@H](CN1C(=O)NC2=CC=CC=C2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)N)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H28N6O4S/c29-25(35)22(15-18-16-30-21-10-5-4-9-20(18)21)32-26(36)23-17-33(28(38)31-19-7-2-1-3-8-19)12-13-34(23)27(37)24-11-6-14-39-24/h1-11,14,16,22-23,30H,12-13,15,17H2,(H2,29,35)(H,31,38)(H,32,36)/t22-,23+/m1/s1