2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]acetic acid CAS Name: 2-[6-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[6-(isobutyrylamino)-1H-indol-3-yl]-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]acetic acid Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C24H33N5O4/c1-16(2)23(31)26-17-5-6-18-19(14-25-20(18)13-17)22(24(32)33)29-11-9-27(10-12-29)15-21(30)28-7-3-4-8-28/h5-6,13-14,16,22,25H,3-4,7-12,15H2,1-2H3,(H,26,31)(H,32,33)