2-[[(2R)-2-(1-adamantylcarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]ethanoate

Systemtic Name: 2-[[(2R)-2-(1-adamantylcarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]ethanoate Openeye Name: 2-[[(2R)-2-(adamantane-1-carbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]acetate CAS Name: 2-[[(2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]acetate IUPAC Name: 2-[[(2R)-2-(adamantane-1-carbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]acetate Traditional Name: 2-[[(2R)-2-(adamantane-1-carbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]acetate Formula: C24H28N3O4- MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NCC(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C24H29N3O4/c28-21(29)13-26-22(30)20(8-17-12-25-19-4-2-1-3-18(17)19)27-23(31)24-9-14-5-15(10-24)7-16(6-14)11-24/h1-4,12,14-16,20,25H,5-11,13H2,(H,26,30)(H,27,31)(H,28,29)/p-1/t14?,15?,16?,20-,24?/m1/s1