O7-tert-butyl O1-ethyl (2S,6S)-6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxidanyl-heptanedioate

Systemtic Name: O7-tert-butyl O1-ethyl (2S,6S)-6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxidanyl-heptanedioate Openeye Name: O1-tert-butyl O7-ethyl (2S,6S)-2-[bis(tert-butoxycarbonyl)amino]-6-hydroxy-heptanedioate CAS Name: (2S,6S)-6-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-hydroxyheptanedioic acid O7-tert-butyl ester O1-ethyl ester IUPAC Name: 7-O-tert-butyl 1-O-ethyl (2S,6S)-6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxyheptanedioate Traditional Name: (2S,6S)-2-[bis(tert-butoxycarbonyl)amino]-6-hydroxy-pimelic acid O1-tert-butyl ester O7-ethyl ester Formula: C23H41NO9 MolecularWeight: 475.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCOC(=O)[C@H](CCC[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C23H41NO9/c1-11-30-18(27)16(25)14-12-13-15(17(26)31-21(2,3)4)24(19(28)32-22(5,6)7)20(29)33-23(8,9)10/h15-16,25H,11-14H2,1-10H3/t15-,16-/m0/s1