2-adamantyl N-[(2R)-1-(1,3-diphenylpropan-2-ylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: 2-adamantyl N-[(2R)-1-(1,3-diphenylpropan-2-ylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 2-adamantyl N-[(1R)-2-[(1-benzyl-2-phenyl-ethyl)amino]-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-(1,3-diphenylpropan-2-ylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid 2-adamantyl ester IUPAC Name: 2-adamantyl N-[(2R)-1-(1,3-diphenylpropan-2-ylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-[(1-benzyl-2-phenyl-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-keto-1-methyl-ethyl]carbamic acid 2-adamantyl ester Formula: C38H43N3O3 MolecularWeight: 589.76632

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)CC4=CC=CC=C4)NC(=O)OC5C6CC7CC(C6)CC5C7

Isomeric SMILES

C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)NC(CC3=CC=CC=C3)CC4=CC=CC=C4)NC(=O)OC5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C38H43N3O3/c1-38(23-31-24-39-34-15-9-8-14-33(31)34,41-37(43)44-35-29-17-27-16-28(19-29)20-30(35)18-27)36(42)40-32(21-25-10-4-2-5-11-25)22-26-12-6-3-7-13-26/h2-15,24,27-30,32,35,39H,16-23H2,1H3,(H,40,42)(H,41,43)/t27?,28?,29?,30?,35?,38-/m1/s1