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

Systemtic Name: methyl (2R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[(2R)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C33H39N3O5 MolecularWeight: 557.67986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NC(CC3=CC=CC=C3)C(=O)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)N[C@H](CC3=CC=CC=C3)C(=O)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C33H39N3O5/c1-33(18-25-19-34-27-11-7-6-10-26(25)27,31(38)35-28(30(37)40-2)17-20-8-4-3-5-9-20)36-32(39)41-29-23-13-21-12-22(15-23)16-24(29)14-21/h3-11,19,21-24,28-29,34H,12-18H2,1-2H3,(H,35,38)(H,36,39)/t21?,22?,23?,24?,28-,29?,33-/m1/s1