(2S,5S,8R)-2-azanyl-1-cyclohexyl-9-methyl-6-oxidanylidene-8-[(1-oxidanylpyridin-1-ium-2-yl)methylcarbamoyl]-5-propan-2-yl-undecan-3-olate

Systemtic Name: (2S,5S,8R)-2-azanyl-1-cyclohexyl-9-methyl-6-oxidanylidene-8-[(1-oxidanylpyridin-1-ium-2-yl)methylcarbamoyl]-5-propan-2-yl-undecan-3-olate Openeye Name: (2S,5S,8R)-2-amino-1-cyclohexyl-8-[(1-hydroxypyridin-1-ium-2-yl)methylcarbamoyl]-5-isopropyl-9-methyl-6-oxo-undecan-3-olate CAS Name: (2S,5S,8R)-2-amino-1-cyclohexyl-8-[[(1-hydroxy-2-pyridin-1-iumyl)methylamino]-oxomethyl]-9-methyl-6-oxo-5-propan-2-yl-3-undecanolate IUPAC Name: (2S,5S,8R)-2-amino-1-cyclohexyl-8-[(1-hydroxypyridin-1-ium-2-yl)methylcarbamoyl]-9-methyl-6-oxo-5-propan-2-ylundecan-3-olate Traditional Name: (2S,5S,8R)-2-amino-1-cyclohexyl-8-[(1-hydroxypyridin-1-ium-2-yl)methylcarbamoyl]-5-isopropyl-6-keto-9-methyl-undecan-3-olate Formula: C28H47N3O4 MolecularWeight: 489.69048

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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/h9-10,13-14,19-21,23-25,27,35H,5-8,11-12,15-18,29H2,1-4H3,(H,30,34)/t20?,23-,24+,25-,27?/m0/s1