5-[[4-[[(1S,3S,4R,5R)-4-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-oxidanyl-phosphoryl]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-[[(1S,3S,4R,5R)-4-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-oxidanyl-phosphoryl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[hydroxy-[[(1S,3S,4R,5R)-4-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phosphoryl]anilino]-5-oxo-pentanoic acid CAS Name: 5-[4-[hydroxy-[[(1S,3S,4R,5R)-4-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phosphoryl]anilino]-5-oxopentanoic acid IUPAC Name: 5-[4-[hydroxy-[[(1S,3S,4R,5R)-4-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phosphoryl]anilino]-5-oxopentanoic acid Traditional Name: 5-[4-[[(1S,3S,4R,5R)-4-carbomethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-hydroxy-phosphoryl]anilino]-5-keto-valeric acid Formula: C21H29N2O8P MolecularWeight: 468.437321

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)OP(=O)(C3=CC=C(C=C3)NC(=O)CCCC(=O)O)O)C(=O)OC

Isomeric SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OP(=O)(C3=CC=C(C=C3)NC(=O)CCCC(=O)O)O)C(=O)OC

InChI

InChI=1S/C21H29N2O8P/c1-23-14-8-11-16(23)20(21(27)30-2)17(12-14)31-32(28,29)15-9-6-13(7-10-15)22-18(24)4-3-5-19(25)26/h6-7,9-10,14,16-17,20H,3-5,8,11-12H2,1-2H3,(H,22,24)(H,25,26)(H,28,29)/t14-,16+,17-,20+/m0/s1