calcium 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoyl]amino]pentanedioate

Systemtic Name: calcium 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoyl]amino]pentanedioate Openeye Name: calcium 2-[[2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)hexanoyl]amino]pentanedioate CAS Name: calcium 2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]pentanedioate IUPAC Name: calcium 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoyl]amino]pentanedioate Traditional Name: calcium 2-[[2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)hexanoyl]amino]glutarate Formula: C24H33CaN3O9 MolecularWeight: 547.61152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)NC(CCC(=O)[O-])C(=O)[O-])NC(=O)OCC1=CC=CC=C1.[Ca+2]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCC(C(=O)NC(CCC(=O)[O-])C(=O)[O-])NC(=O)OCC1=CC=CC=C1.[Ca+2]

InChI

InChI=1S/C24H35N3O9.Ca/c1-24(2,3)36-22(33)25-14-8-7-11-17(20(30)26-18(21(31)32)12-13-19(28)29)27-23(34)35-15-16-9-5-4-6-10-16;/h4-6,9-10,17-18H,7-8,11-15H2,1-3H3,(H,25,33)(H,26,30)(H,27,34)(H,28,29)(H,31,32);/q;+2/p-2