4-[(2S)-2-[[(2R)-2-(2-adamantylcarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-propoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2S)-2-[[(2R)-2-(2-adamantylcarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-propoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-propoxy]-4-oxo-butanoic acid CAS Name: 4-[(2S)-2-[[(2R)-2-[[2-adamantyl(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]-3-phenylpropoxy]-4-oxobutanoic acid IUPAC Name: 4-[(2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-3-phenylpropoxy]-4-oxobutanoic acid Traditional Name: 4-[(2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-propoxy]-4-keto-butyric acid Formula: C36H43N3O6 MolecularWeight: 613.74312

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NC(CC3=CC=CC=C3)COC(=O)CCC(=O)O)NC(=O)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)N[C@@H](CC3=CC=CC=C3)COC(=O)CCC(=O)O)NC(=O)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C36H43N3O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,39-34(43)33-25-14-23-13-24(16-25)17-26(33)15-23)35(44)38-28(18-22-7-3-2-4-8-22)21-45-32(42)12-11-31(40)41/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,44)(H,39,43)(H,40,41)/t23?,24?,25?,26?,28-,33?,36+/m0/s1