(2S,7S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-8-phenacyloxy-7-(phenylmethoxycarbonylamino)octanoic acid

Systemtic Name: (2S,7S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-8-phenacyloxy-7-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: (2S,7S)-7-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)-8-oxo-8-phenacyloxy-octanoic acid CAS Name: (2S,7S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-8-phenacyloxy-7-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: (2S,7S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-8-phenacyloxy-7-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: (2S,7S)-7-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)-8-keto-8-phenacyloxy-caprylic acid Formula: C29H36N2O9 MolecularWeight: 556.60414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCC(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCC[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C29H36N2O9/c1-29(2,3)40-28(37)30-22(25(33)34)16-10-11-17-23(31-27(36)39-18-20-12-6-4-7-13-20)26(35)38-19-24(32)21-14-8-5-9-15-21/h4-9,12-15,22-23H,10-11,16-19H2,1-3H3,(H,30,37)(H,31,36)(H,33,34)/t22-,23-/m0/s1