(2S)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-pyridin-3-ylcarbonyl-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-pyridin-3-ylcarbonyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-(pyridine-3-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[oxo(3-pyridinyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(pyridine-3-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-nicotinoyl-1-(2-thenoyl)piperazine-2-carboxamide Formula: C27H26N6O4S MolecularWeight: 530.59814

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26N6O4S/c28-24(34)21(13-18-15-30-20-7-2-1-6-19(18)20)31-25(35)22-16-32(26(36)17-5-3-9-29-14-17)10-11-33(22)27(37)23-8-4-12-38-23/h1-9,12,14-15,21-22,30H,10-11,13,16H2,(H2,28,34)(H,31,35)/t21-,22+/m1/s1