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

Systemtic Name: (2R)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-thiophen-2-ylcarbonyl-piperazin-4-ium-2-carboxamide Openeye Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-(thiophene-2-carbonyl)piperazin-4-ium-2-carboxamide CAS Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazin-4-iumcarboxamide IUPAC Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(thiophene-2-carbonyl)piperazin-4-ium-2-carboxamide Traditional Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-(2-thenoyl)piperazin-4-ium-2-carboxamide Formula: C21H24N5O3S+ MolecularWeight: 426.51196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH2+]1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN([C@H](C[NH2+]1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N5O3S/c22-19(27)16(10-13-11-24-15-5-2-1-4-14(13)15)25-20(28)17-12-23-7-8-26(17)21(29)18-6-3-9-30-18/h1-6,9,11,16-17,23-24H,7-8,10,12H2,(H2,22,27)(H,25,28)/p+1/t16-,17-/m1/s1