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

Systemtic Name: 2-[[[(2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate Formula: C21H24N3O6- MolecularWeight: 414.43176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H25N3O6/c1-4-30-17-8-5-14(6-9-17)20(26)23-19(13(2)3)21(27)22-12-15-11-16(24(28)29)7-10-18(15)25/h5-11,13,19,25H,4,12H2,1-3H3,(H,22,27)(H,23,26)/p-1/t19-/m0/s1