(3S)-3-(3,3-dimethylbutylazaniumyl)-4-[[(2S)-1-oxidanidyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-(3,3-dimethylbutylazaniumyl)-4-[[(2S)-1-oxidanidyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-4-[[(1S)-1-benzyl-2-oxido-2-oxo-ethyl]amino]-3-(3,3-dimethylbutylammonio)-4-oxo-butanoate CAS Name: (3S)-3-(3,3-dimethylbutylammonio)-4-[[(2S)-1-oxido-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate IUPAC Name: (3S)-3-(3,3-dimethylbutylazaniumyl)-4-[[(2S)-1-oxido-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate Traditional Name: (3S)-4-[[(1S)-1-benzyl-2-keto-2-oxido-ethyl]amino]-3-(3,3-dimethylbutylammonio)-4-keto-butyrate Formula: C19H27N2O5- MolecularWeight: 363.42808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC[NH2+]C(CC(=O)[O-])C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)CC[NH2+][C@@H](CC(=O)[O-])C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C19H28N2O5/c1-19(2,3)9-10-20-14(12-16(22)23)17(24)21-15(18(25)26)11-13-7-5-4-6-8-13/h4-8,14-15,20H,9-12H2,1-3H3,(H,21,24)(H,22,23)(H,25,26)/p-1/t14-,15-/m0/s1