methyl (2S)-2-(6-azanyl-3-oxidanylidene-1H-isoindol-2-yl)-5-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl (2S)-2-(6-azanyl-3-oxidanylidene-1H-isoindol-2-yl)-5-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl (2S)-2-(5-amino-1-oxo-isoindolin-2-yl)-5-(benzyloxycarbonylamino)pentanoate CAS Name: (2S)-2-(6-amino-3-oxo-1H-isoindol-2-yl)-5-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-(6-amino-3-oxo-1H-isoindol-2-yl)-5-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(5-amino-1-keto-isoindolin-2-yl)-5-(benzyloxycarbonylamino)valeric acid methyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCNC(=O)OCC1=CC=CC=C1)N2CC3=C(C2=O)C=CC(=C3)N

Isomeric SMILES

COC(=O)[C@H](CCCNC(=O)OCC1=CC=CC=C1)N2CC3=C(C2=O)C=CC(=C3)N

InChI

InChI=1S/C22H25N3O5/c1-29-21(27)19(25-13-16-12-17(23)9-10-18(16)20(25)26)8-5-11-24-22(28)30-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,19H,5,8,11,13-14,23H2,1H3,(H,24,28)/t19-/m0/s1