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

Systemtic Name: (2S)-2-[[4-[3-(1H-indol-3-yl)propanoyl]piperazin-1-yl]carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[4-[3-(1H-indol-3-yl)propanoyl]piperazine-1-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[4-[3-(1H-indol-3-yl)-1-oxopropyl]-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[4-[3-(1H-indol-3-yl)propanoyl]piperazine-1-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-[3-(1H-indol-3-yl)propanoyl]piperazine-1-carbonyl]amino]-3-methyl-butyrate Formula: C21H27N4O4- MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)N1CCN(CC1)C(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)N1CCN(CC1)C(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H28N4O4/c1-14(2)19(20(27)28)23-21(29)25-11-9-24(10-12-25)18(26)8-7-15-13-22-17-6-4-3-5-16(15)17/h3-6,13-14,19,22H,7-12H2,1-2H3,(H,23,29)(H,27,28)/p-1/t19-/m0/s1