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

Systemtic Name: 7-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]heptanoic acid Openeye Name: 7-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]heptanoic acid CAS Name: 7-[[(2S)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]-phenethylamino]heptanoic acid IUPAC Name: 7-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]-phenethylamino]heptanoic acid Traditional Name: 7-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]enanthic acid Formula: C38H49N3O5 MolecularWeight: 627.81276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H49N3O5/c1-38(24-31-25-39-33-14-9-8-13-32(31)33,40-37(45)46-35-29-20-27-19-28(22-29)23-30(35)21-27)36(44)41(17-10-3-2-7-15-34(42)43)18-16-26-11-5-4-6-12-26/h4-6,8-9,11-14,25,27-30,35,39H,2-3,7,10,15-24H2,1H3,(H,40,45)(H,42,43)/t27?,28?,29?,30?,35?,38-/m0/s1