4-[(E)-3-azanyl-3-oxidanylidene-1-phenyl-prop-1-enyl]-N-[(2S)-2,6-bis(azanyl)hexanoyl]benzamide

Systemtic Name: 4-[(E)-3-azanyl-3-oxidanylidene-1-phenyl-prop-1-enyl]-N-[(2S)-2,6-bis(azanyl)hexanoyl]benzamide Openeye Name: 4-[(E)-3-amino-3-oxo-1-phenyl-prop-1-enyl]-N-[(2S)-2,6-diaminohexanoyl]benzamide CAS Name: 4-[(E)-3-amino-3-oxo-1-phenylprop-1-enyl]-N-[(2S)-2,6-diamino-1-oxohexyl]benzamide IUPAC Name: 4-[(E)-3-amino-3-oxo-1-phenylprop-1-enyl]-N-[(2S)-2,6-diaminohexanoyl]benzamide Traditional Name: 4-[(E)-3-amino-3-keto-1-phenyl-prop-1-enyl]-N-[(2S)-2,6-diaminohexanoyl]benzamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC(=O)N)C2=CC=C(C=C2)C(=O)NC(=O)C(CCCCN)N

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\C(=O)N)/C2=CC=C(C=C2)C(=O)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C22H26N4O3/c23-13-5-4-8-19(24)22(29)26-21(28)17-11-9-16(10-12-17)18(14-20(25)27)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,19H,4-5,8,13,23-24H2,(H2,25,27)(H,26,28,29)/b18-14+/t19-/m0/s1