methyl (2S)-2-[[4-[4-(1H-indol-3-yl)butanoyl]piperazin-1-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-2-[[4-[4-(1H-indol-3-yl)butanoyl]piperazin-1-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[[4-[4-(1H-indol-3-yl)butanoyl]piperazine-1-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[4-[4-(1H-indol-3-yl)-1-oxobutyl]-1-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[4-(1H-indol-3-yl)butanoyl]piperazine-1-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[4-[4-(1H-indol-3-yl)butanoyl]piperazine-1-carbonyl]amino]propionic acid methyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)N1CCN(CC1)C(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)N1CCN(CC1)C(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H28N4O4/c1-15(20(27)29-2)23-21(28)25-12-10-24(11-13-25)19(26)9-5-6-16-14-22-18-8-4-3-7-17(16)18/h3-4,7-8,14-15,22H,5-6,9-13H2,1-2H3,(H,23,28)/t15-/m0/s1