(3S)-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-3-(pyridin-3-ylcarbonylamino)butanoic acid

Systemtic Name: (3S)-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-3-(pyridin-3-ylcarbonylamino)butanoic acid Openeye Name: (3S)-4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-3-(pyridine-3-carbonylamino)butanoic acid CAS Name: (3S)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-[[oxo(3-pyridinyl)methyl]amino]butanoic acid IUPAC Name: (3S)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-(pyridine-3-carbonylamino)butanoic acid Traditional Name: (3S)-4-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-4-keto-3-nicotinamido-butyric acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)C2=CN=CC=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H21N3O6/c1-29-20(28)16(10-13-6-3-2-4-7-13)23-19(27)15(11-17(24)25)22-18(26)14-8-5-9-21-12-14/h2-9,12,15-16H,10-11H2,1H3,(H,22,26)(H,23,27)(H,24,25)/t15-,16-/m0/s1