N-[(2S)-3-(1H-indol-2-yl)-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-3-(1H-indol-2-yl)-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-(1H-indol-2-ylmethyl)-2-oxo-2-[[(4S)-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]furan-2-carboxamide CAS Name: N-[(2S)-3-(1H-indol-2-yl)-1-oxo-1-[[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]propan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-3-(1H-indol-2-yl)-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-(1H-indol-2-ylmethyl)-2-keto-2-[[(4S)-3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]-2-furamide Formula: C27H27N5O6S MolecularWeight: 549.59818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC3=CC4=CC=CC=C4N3)NC(=O)C5=CC=CO5

Isomeric SMILES

C1C[C@@H](C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)[C@H](CC3=CC4=CC=CC=C4N3)NC(=O)C5=CC=CO5

InChI

InChI=1S/C27H27N5O6S/c33-23-17-32(39(36,37)25-11-3-4-12-28-25)13-5-9-21(23)30-26(34)22(31-27(35)24-10-6-14-38-24)16-19-15-18-7-1-2-8-20(18)29-19/h1-4,6-8,10-12,14-15,21-22,29H,5,9,13,16-17H2,(H,30,34)(H,31,35)/t21-,22-/m0/s1