(phenylmethyl) 3-(1H-indol-3-yl)-2-[(2-piperidin-4-yl-1,3-thiazol-4-yl)carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-[(2-piperidin-4-yl-1,3-thiazol-4-yl)carbonylamino]propanoate Openeye Name: benzyl 3-(1H-indol-3-yl)-2-[[2-(4-piperidyl)thiazole-4-carbonyl]amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-[2-(4-piperidinyl)-4-thiazolyl]methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(4-piperidyl)thiazole-4-carbonyl]amino]propionic acid benzyl ester Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=NC(=CS2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CNCCC1C2=NC(=CS2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3S/c32-25(24-17-35-26(31-24)19-10-12-28-13-11-19)30-23(27(33)34-16-18-6-2-1-3-7-18)14-20-15-29-22-9-5-4-8-21(20)22/h1-9,15,17,19,23,28-29H,10-14,16H2,(H,30,32)