methyl (2S)-2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-6-(benzyloxycarbonylamino)-2-(2,5-dioxopyrrol-1-yl)hexanoate CAS Name: (2S)-2-(2,5-dioxo-1-pyrrolyl)-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2,5-dioxopyrrol-1-yl)-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-6-(benzyloxycarbonylamino)-2-maleimido-hexanoic acid methyl ester Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)N2C(=O)C=CC2=O

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)N2C(=O)C=CC2=O

InChI

InChI=1S/C19H22N2O6/c1-26-18(24)15(21-16(22)10-11-17(21)23)9-5-6-12-20-19(25)27-13-14-7-3-2-4-8-14/h2-4,7-8,10-11,15H,5-6,9,12-13H2,1H3,(H,20,25)/t15-/m0/s1