2-[[[(2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate Formula: C23H28N3O5- MolecularWeight: 426.48552

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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)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5/c1-14(2)20(25-21(28)15-6-8-17(9-7-15)23(3,4)5)22(29)24-13-16-12-18(26(30)31)10-11-19(16)27/h6-12,14,20,27H,13H2,1-5H3,(H,24,29)(H,25,28)/p-1/t20-/m0/s1