2-[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethoxy]ethanoic acid

Systemtic Name: 2-[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethoxy]ethanoic acid Openeye Name: 2-[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethoxy]acetic acid CAS Name: 2-[(1R)-2-[[(2R)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]-1-phenylethoxy]acetic acid IUPAC Name: 2-[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethoxy]acetic acid Traditional Name: 2-[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethoxy]acetic acid Formula: C33H39N3O6 MolecularWeight: 573.67926

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC(C3=CC=CC=C3)OCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)NC[C@@H](C3=CC=CC=C3)OCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C33H39N3O6/c1-33(16-25-17-34-27-10-6-5-9-26(25)27,31(39)35-18-28(41-19-29(37)38)22-7-3-2-4-8-22)36-32(40)42-30-23-12-20-11-21(14-23)15-24(30)13-20/h2-10,17,20-21,23-24,28,30,34H,11-16,18-19H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t20?,21?,23?,24?,28-,30?,33+/m0/s1