methyl 4-[[(1R)-2-[[2-(2-adamantyloxycarbonylamino)-3-(1-benzothiophen-2-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(1R)-2-[[2-(2-adamantyloxycarbonylamino)-3-(1-benzothiophen-2-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(1R)-2-[[2-(2-adamantyloxycarbonylamino)-3-(benzothiophen-2-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[(1R)-2-[[2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1-benzothiophen-2-yl)-2-methyl-1-oxopropyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(1R)-2-[[2-(2-adamantyloxycarbonylamino)-3-(1-benzothiophen-2-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoate Traditional Name: 4-[[(1R)-2-[[2-(2-adamantyloxycarbonylamino)-3-(benzothiophen-2-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-keto-butyric acid methyl ester Formula: C36H43N3O6S MolecularWeight: 645.80812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=CC=CC=C2S1)(C(=O)NCC(C3=CC=CC=C3)NC(=O)CCC(=O)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(CC1=CC2=CC=CC=C2S1)(C(=O)NC[C@@H](C3=CC=CC=C3)NC(=O)CCC(=O)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C36H43N3O6S/c1-36(20-28-19-25-10-6-7-11-30(25)46-28,39-35(43)45-33-26-15-22-14-23(17-26)18-27(33)16-22)34(42)37-21-29(24-8-4-3-5-9-24)38-31(40)12-13-32(41)44-2/h3-11,19,22-23,26-27,29,33H,12-18,20-21H2,1-2H3,(H,37,42)(H,38,40)(H,39,43)/t22?,23?,26?,27?,29-,33?,36?/m0/s1