ethyl 2-[[2-[1-azanyl-2-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl 2-[[2-[1-azanyl-2-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[[2-[1-amino-2-(1H-indol-3-yl)ethyl]oxazole-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-[1-amino-2-(1H-indol-3-yl)ethyl]-4-oxazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-amino-2-(1H-indol-3-yl)ethyl]-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[1-amino-2-(1H-indol-3-yl)ethyl]oxazole-4-carbonyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C1=COC(=N1)C(CC2=CNC3=CC=CC=C32)N

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)C1=COC(=N1)C(CC2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C21H26N4O4S/c1-3-28-21(27)17(8-9-30-2)24-19(26)18-12-29-20(25-18)15(22)10-13-11-23-16-7-5-4-6-14(13)16/h4-7,11-12,15,17,23H,3,8-10,22H2,1-2H3,(H,24,26)