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

Systemtic Name: ethyl 2-[[2-(1-azanyl-3-methyl-butyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: ethyl 2-[[2-(1-amino-3-methyl-butyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[2-(1-amino-3-methylbutyl)-4-thiazolyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-amino-3-methylbutyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1-amino-3-methyl-butyl)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S/c1-4-29-22(28)18(10-14-11-24-17-8-6-5-7-15(14)17)25-20(27)19-12-30-21(26-19)16(23)9-13(2)3/h5-8,11-13,16,18,24H,4,9-10,23H2,1-3H3,(H,25,27)