methyl (2S)-2-[[6-[5-[[(2S)-1-methoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyridin-2-yl]pyridin-3-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[6-[5-[[(2S)-1-methoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyridin-2-yl]pyridin-3-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[6-[5-[[(1S)-1-(hydroxymethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]-2-pyridyl]pyridine-3-carbonyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[[6-[5-[[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-2-pyridinyl]-3-pyridinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[6-[5-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridin-2-yl]pyridine-3-carbonyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[6-[5-[[(1S)-2-keto-2-methoxy-1-methylol-ethyl]carbamoyl]-2-pyridyl]nicotinoyl]amino]propionic acid methyl ester Formula: C20H22N4O8 MolecularWeight: 446.41068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CN=C(C=C1)C2=NC=C(C=C2)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CN=C(C=C1)C2=NC=C(C=C2)C(=O)N[C@@H](CO)C(=O)OC

InChI

InChI=1S/C20H22N4O8/c1-31-19(29)15(9-25)23-17(27)11-3-5-13(21-7-11)14-6-4-12(8-22-14)18(28)24-16(10-26)20(30)32-2/h3-8,15-16,25-26H,9-10H2,1-2H3,(H,23,27)(H,24,28)/t15-,16-/m0/s1