(2R,6S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)heptanedioic acid

Systemtic Name: (2R,6S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)heptanedioic acid Openeye Name: (2S,6R)-2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)heptanedioic acid CAS Name: (2R,6S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)heptanedioic acid IUPAC Name: (2R,6S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)heptanedioic acid Traditional Name: (2S,6R)-2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)pimelic acid Formula: C20H28N2O8 MolecularWeight: 424.44492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC(C(=O)O)NC(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C20H28N2O8/c1-20(2,3)30-19(28)22-15(17(25)26)11-7-10-14(16(23)24)21-18(27)29-12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,21,27)(H,22,28)(H,23,24)(H,25,26)/t14-,15+/m0/s1