methyl 2-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C29H39N3O5S MolecularWeight: 541.70206

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NC(CCSC)C(=O)OC)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)NC(CCSC)C(=O)OC)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C29H39N3O5S/c1-29(15-21-16-30-23-7-5-4-6-22(21)23,27(34)31-24(8-9-38-3)26(33)36-2)32-28(35)37-25-19-11-17-10-18(13-19)14-20(25)12-17/h4-7,16-20,24-25,30H,8-15H2,1-3H3,(H,31,34)(H,32,35)