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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CSC(=N3)C(CC)N

Isomeric SMILES

CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CSC(=N3)C(CC)N

InChI

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