dimethyl (2S,6R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)heptanedioate

Systemtic Name: dimethyl (2S,6R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)heptanedioate Openeye Name: dimethyl (2R,6S)-2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)heptanedioate CAS Name: (2S,6R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)heptanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,6R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)heptanedioate Traditional Name: (2R,6S)-2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)pimelic acid dimethyl ester Formula: C22H32N2O8 MolecularWeight: 452.49808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O8/c1-22(2,3)32-21(28)24-17(19(26)30-5)13-9-12-16(18(25)29-4)23-20(27)31-14-15-10-7-6-8-11-15/h6-8,10-11,16-17H,9,12-14H2,1-5H3,(H,23,27)(H,24,28)/t16-,17+/m1/s1