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

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-[(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)carbonylamino]propanoate Openeye Name: benzyl 3-(1H-indol-3-yl)-2-[(2-pyrrolidin-2-ylthiazole-4-carbonyl)amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-[2-(2-pyrrolidinyl)-4-thiazolyl]methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-[(2-pyrrolidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[(2-pyrrolidin-2-ylthiazole-4-carbonyl)amino]propionic acid benzyl ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NC(=CS2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CC(NC1)C2=NC(=CS2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3S/c31-24(23-16-34-25(30-23)21-11-6-12-27-21)29-22(26(32)33-15-17-7-2-1-3-8-17)13-18-14-28-20-10-5-4-9-19(18)20/h1-5,7-10,14,16,21-22,27-28H,6,11-13,15H2,(H,29,31)