(4S)-4-azaniumyl-5-[[2-[[(2S)-1-oxidanidyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (4S)-4-azaniumyl-5-[[2-[[(2S)-1-oxidanidyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoate Openeye Name: (4S)-4-azaniumyl-5-[[2-[[(1S)-1-benzyl-2-oxido-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: (4S)-4-ammonio-5-[[2-[[(2S)-1-oxido-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoate IUPAC Name: (4S)-4-azaniumyl-5-[[2-[[(2S)-1-oxido-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoate Traditional Name: (4S)-4-ammonio-5-[[2-[[(1S)-1-benzyl-2-keto-2-oxido-ethyl]amino]-2-keto-ethyl]amino]-5-keto-valerate Formula: C16H20N3O6- MolecularWeight: 350.3465

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)CNC(=O)C(CCC(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)CNC(=O)[C@H](CCC(=O)[O-])[NH3+]

InChI

InChI=1S/C16H21N3O6/c17-11(6-7-14(21)22)15(23)18-9-13(20)19-12(16(24)25)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,17H2,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/p-1/t11-,12-/m0/s1