methyl (2R)-2-[2-(1-adamantylcarbonylamino)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[2-(1-adamantylcarbonylamino)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[2-(adamantane-1-carbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(adamantane-1-carbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[2-(adamantane-1-carbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31N3O4/c1-32-23(30)21(9-18-13-26-20-5-3-2-4-19(18)20)28-22(29)14-27-24(31)25-10-15-6-16(11-25)8-17(7-15)12-25/h2-5,13,15-17,21,26H,6-12,14H2,1H3,(H,27,31)(H,28,29)/t15?,16?,17?,21-,25?/m1/s1