(2S)-N-(1H-benzimidazol-2-yl)-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-3-oxidanyl-propanamide

Systemtic Name: (2S)-N-(1H-benzimidazol-2-yl)-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-3-oxidanyl-propanamide Openeye Name: (2S)-N-(1H-benzimidazol-2-yl)-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]propanamide CAS Name: (2S)-N-(1H-benzimidazol-2-yl)-3-hydroxy-2-[[3-(1H-indol-3-yl)-1-oxoprop-2-enyl]amino]propanamide IUPAC Name: (2S)-N-(1H-benzimidazol-2-yl)-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]propanamide Traditional Name: (2S)-N-(1H-benzimidazol-2-yl)-3-hydroxy-2-[[3-(1H-indol-3-yl)acryloyl]amino]propionamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C=CC(=O)NC(CO)C(=O)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C=CC(=O)N[C@@H](CO)C(=O)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H19N5O3/c27-12-18(20(29)26-21-24-16-7-3-4-8-17(16)25-21)23-19(28)10-9-13-11-22-15-6-2-1-5-14(13)15/h1-11,18,22,27H,12H2,(H,23,28)(H2,24,25,26,29)/t18-/m0/s1