methyl 2-[[2-(1-azanyl-3-methylsulfanyl-propyl)-1,3-oxazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[2-(1-azanyl-3-methylsulfanyl-propyl)-1,3-oxazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(1-amino-3-methylsulfanyl-propyl)oxazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[2-[1-amino-3-(methylthio)propyl]-4-oxazolyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-[1-amino-3-(methylthio)propyl]oxazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=COC(=N3)C(CCSC)N

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=COC(=N3)C(CCSC)N

InChI

InChI=1S/C20H24N4O4S/c1-27-20(26)16(9-12-10-22-15-6-4-3-5-13(12)15)23-18(25)17-11-28-19(24-17)14(21)7-8-29-2/h3-6,10-11,14,16,22H,7-9,21H2,1-2H3,(H,23,25)