(2R,5S,8S)-8-azanyl-2-butan-2-yl-9-cyclohexyl-7-oxidanyl-4-oxidanylidene-N-[(1-oxidanylpyridin-1-ium-2-yl)methyl]-5-propan-2-yl-nonanamide

Systemtic Name: (2R,5S,8S)-8-azanyl-2-butan-2-yl-9-cyclohexyl-7-oxidanyl-4-oxidanylidene-N-[(1-oxidanylpyridin-1-ium-2-yl)methyl]-5-propan-2-yl-nonanamide Openeye Name: (2R,5S,8S)-8-amino-9-cyclohexyl-7-hydroxy-N-[(1-hydroxypyridin-1-ium-2-yl)methyl]-5-isopropyl-4-oxo-2-sec-butyl-nonanamide CAS Name: (2R,5S,8S)-8-amino-2-butan-2-yl-9-cyclohexyl-7-hydroxy-N-[(1-hydroxy-2-pyridin-1-iumyl)methyl]-4-oxo-5-propan-2-ylnonanamide IUPAC Name: (2R,5S,8S)-8-amino-2-butan-2-yl-9-cyclohexyl-7-hydroxy-N-[(1-hydroxypyridin-1-ium-2-yl)methyl]-4-oxo-5-propan-2-ylnonanamide Traditional Name: (2R,5S,8S)-8-amino-9-cyclohexyl-7-hydroxy-N-[(1-hydroxypyridin-1-ium-2-yl)methyl]-5-isopropyl-4-keto-2-sec-butyl-pelargonamide Formula: C28H48N3O4+ MolecularWeight: 490.69842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(=O)C(CC(C(CC1CCCCC1)N)O)C(C)C)C(=O)NCC2=CC=CC=[N+]2O

Isomeric SMILES

CCC(C)[C@@H](CC(=O)[C@@H](CC([C@H](CC1CCCCC1)N)O)C(C)C)C(=O)NCC2=CC=CC=[N+]2O

InChI

InChI=1S/C28H47N3O4/c1-5-20(4)24(28(34)30-18-22-13-9-10-14-31(22)35)17-26(32)23(19(2)3)16-27(33)25(29)15-21-11-7-6-8-12-21/h9-10,13-14,19-21,23-25,27,33H,5-8,11-12,15-18,29H2,1-4H3,(H-,30,34,35)/p+1/t20?,23-,24+,25-,27?/m0/s1