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

Systemtic Name: ethyl 2-[[2-(1-azanylpentyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: ethyl 2-[[2-(1-aminopentyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[2-(1-aminopentyl)-4-thiazolyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-aminopentyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1-aminopentyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propionic acid ethyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NC(=CS1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC)N

Isomeric SMILES

CCCCC(C1=NC(=CS1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC)N

InChI

InChI=1S/C22H28N4O3S/c1-3-5-9-16(23)21-26-19(13-30-21)20(27)25-18(22(28)29-4-2)11-14-12-24-17-10-7-6-8-15(14)17/h6-8,10,12-13,16,18,24H,3-5,9,11,23H2,1-2H3,(H,25,27)