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

Systemtic Name: 3-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]propanoic acid Openeye Name: 3-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]propanoic acid CAS Name: 3-[[(2S)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]-phenethylamino]propanoic acid IUPAC Name: 3-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]-phenethylamino]propanoic acid Traditional Name: 3-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]propionic acid Formula: C34H41N3O5 MolecularWeight: 571.70644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H41N3O5/c1-34(20-27-21-35-29-10-6-5-9-28(27)29,32(40)37(14-12-30(38)39)13-11-22-7-3-2-4-8-22)36-33(41)42-31-25-16-23-15-24(18-25)19-26(31)17-23/h2-10,21,23-26,31,35H,11-20H2,1H3,(H,36,41)(H,38,39)/t23?,24?,25?,26?,31?,34-/m0/s1