4-[[4-[1H-indol-3-yl(piperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[1H-indol-3-yl(piperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-[1H-indol-3-yl(1-piperidyl)methyl]thiazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-[1H-indol-3-yl(1-piperidinyl)methyl]-2-thiazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-[1H-indol-3-yl(piperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-[1H-indol-3-yl(piperidino)methyl]thiazol-2-yl]amino]-4-keto-butyric acid Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(C2=CNC3=CC=CC=C32)C4=CSC(=N4)NC(=O)CCC(=O)O

Isomeric SMILES

C1CCN(CC1)C(C2=CNC3=CC=CC=C32)C4=CSC(=N4)NC(=O)CCC(=O)O

InChI

InChI=1S/C21H24N4O3S/c26-18(8-9-19(27)28)24-21-23-17(13-29-21)20(25-10-4-1-5-11-25)15-12-22-16-7-3-2-6-14(15)16/h2-3,6-7,12-13,20,22H,1,4-5,8-11H2,(H,27,28)(H,23,24,26)