2-[[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate Formula: C23H30N3O5- MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31N3O5/c1-13(2)20(21(28)24-12-17-8-18(26(30)31)3-4-19(17)27)25-22(29)23-9-14-5-15(10-23)7-16(6-14)11-23/h3-4,8,13-16,20,27H,5-7,9-12H2,1-2H3,(H,24,28)(H,25,29)/p-1/t14?,15?,16?,20-,23?/m1/s1