methyl (2R)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C20H26N4O4/c1-14(25)24-9-7-23(8-10-24)13-19(26)22-18(20(27)28-2)11-15-12-21-17-6-4-3-5-16(15)17/h3-6,12,18,21H,7-11,13H2,1-2H3,(H,22,26)/p+1/t18-/m1/s1