N-[(2S)-3-(4-aminophenyl)-1-[[(1S)-2-[[(2S)-1-azanyl-3-(1-methylpyridin-1-ium-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1-cyclohexyl-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-3-(4-aminophenyl)-1-[[(1S)-2-[[(2S)-1-azanyl-3-(1-methylpyridin-1-ium-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1-cyclohexyl-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-2-[[(1S)-2-[[(1S)-2-amino-1-[(1-methylpyridin-1-ium-3-yl)methyl]-2-oxo-ethyl]amino]-1-cyclohexyl-2-oxo-ethyl]amino]-1-[(4-aminophenyl)methyl]-2-oxo-ethyl]benzofuran-2-carboxamide CAS Name: N-[(2S)-1-[[(1S)-2-[[(2S)-1-amino-3-(1-methyl-3-pyridin-1-iumyl)-1-oxopropan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]-3-(4-aminophenyl)-1-oxopropan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[(2S)-1-[[(1S)-2-[[(2S)-1-amino-3-(1-methylpyridin-1-ium-3-yl)-1-oxopropan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]-3-(4-aminophenyl)-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-(4-aminobenzyl)-2-[[(1S)-2-[[(1S)-2-amino-2-keto-1-[(1-methylpyridin-1-ium-3-yl)methyl]ethyl]amino]-1-cyclohexyl-2-keto-ethyl]amino]-2-keto-ethyl]coumarilamide Formula: C35H41N6O5+ MolecularWeight: 625.73724

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CC(C(=O)N)NC(=O)C(C2CCCCC2)NC(=O)C(CC3=CC=C(C=C3)N)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C[N+]1=CC=CC(=C1)C[C@@H](C(=O)N)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@H](CC3=CC=C(C=C3)N)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C35H40N6O5/c1-41-17-7-8-23(21-41)19-27(32(37)42)38-35(45)31(24-9-3-2-4-10-24)40-33(43)28(18-22-13-15-26(36)16-14-22)39-34(44)30-20-25-11-5-6-12-29(25)46-30/h5-8,11-17,20-21,24,27-28,31H,2-4,9-10,18-19,36H2,1H3,(H4-,37,38,39,40,42,43,44,45)/p+1/t27-,28-,31-/m0/s1