(3S)-3-azaniumyl-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-3-phenyl-1-propan-2-yloxy-propan-2-yl]amino]butanoate

Systemtic Name: (3S)-3-azaniumyl-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-3-phenyl-1-propan-2-yloxy-propan-2-yl]amino]butanoate Openeye Name: (3S)-3-azaniumyl-4-[[(1S)-1-benzyl-2-isopropoxy-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: (3S)-3-ammonio-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl]amino]butanoate IUPAC Name: (3S)-3-azaniumyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl]amino]butanoate Traditional Name: (3S)-3-ammonio-4-[[(1S)-1-benzyl-2-isopropoxy-2-keto-ethyl]amino]-4-keto-butyrate Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C16H22N2O5/c1-10(2)23-16(22)13(8-11-6-4-3-5-7-11)18-15(21)12(17)9-14(19)20/h3-7,10,12-13H,8-9,17H2,1-2H3,(H,18,21)(H,19,20)/t12-,13-/m0/s1