methyl 7-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]heptanoate

Systemtic Name: methyl 7-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]heptanoate Openeye Name: methyl 7-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]heptanoate CAS Name: 7-[[(2S)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]-phenethylamino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]-phenethylamino]heptanoate Traditional Name: 7-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]enanthic acid methyl ester Formula: C39H51N3O5 MolecularWeight: 641.83934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)N(CCCCCCC(=O)OC)CCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[C@](CC1=CNC2=CC=CC=C21)(C(=O)N(CCCCCCC(=O)OC)CCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C39H51N3O5/c1-39(25-32-26-40-34-15-10-9-14-33(32)34,41-38(45)47-36-30-21-28-20-29(23-30)24-31(36)22-28)37(44)42(19-17-27-12-6-5-7-13-27)18-11-4-3-8-16-35(43)46-2/h5-7,9-10,12-15,26,28-31,36,40H,3-4,8,11,16-25H2,1-2H3,(H,41,45)/t28?,29?,30?,31?,36?,39-/m0/s1