(2S)-N-(2,5-dimethoxyphenyl)-2-(1H-pyrrol-2-ylcarbonylamino)pentanediamide

Systemtic Name: (2S)-N-(2,5-dimethoxyphenyl)-2-(1H-pyrrol-2-ylcarbonylamino)pentanediamide Openeye Name: (2S)-N-(2,5-dimethoxyphenyl)-2-(1H-pyrrole-2-carbonylamino)pentanediamide CAS Name: (2S)-N-(2,5-dimethoxyphenyl)-2-[[oxo(1H-pyrrol-2-yl)methyl]amino]pentanediamide IUPAC Name: (2S)-N-(2,5-dimethoxyphenyl)-2-(1H-pyrrole-2-carbonylamino)pentanediamide Traditional Name: (2S)-N-(2,5-dimethoxyphenyl)-2-(1H-pyrrole-2-carbonylamino)glutaramide Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C(CCC(=O)N)NC(=O)C2=CC=CN2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)[C@H](CCC(=O)N)NC(=O)C2=CC=CN2

InChI

InChI=1S/C18H22N4O5/c1-26-11-5-7-15(27-2)14(10-11)22-18(25)13(6-8-16(19)23)21-17(24)12-4-3-9-20-12/h3-5,7,9-10,13,20H,6,8H2,1-2H3,(H2,19,23)(H,21,24)(H,22,25)/t13-/m0/s1