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

Systemtic Name: methyl (2S)-2-[[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[4-[1H-indol-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)N1CCN(CC1)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)N1CCN(CC1)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H26N4O4/c1-13(2)17(19(26)28-3)22-20(27)24-10-8-23(9-11-24)18(25)15-12-21-16-7-5-4-6-14(15)16/h4-7,12-13,17,21H,8-11H2,1-3H3,(H,22,27)/t17-/m0/s1