(8S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-6,9-bis(oxidanylidene)-9-phenylmethoxy-nonanoic acid

Systemtic Name: (8S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-6,9-bis(oxidanylidene)-9-phenylmethoxy-nonanoic acid Openeye Name: (8S)-9-benzyloxy-8-(tert-butoxycarbonylamino)-6,9-dioxo-nonanoic acid CAS Name: (8S)-8-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6,9-dioxo-9-phenylmethoxynonanoic acid IUPAC Name: (8S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-6,9-dioxo-9-phenylmethoxynonanoic acid Traditional Name: (8S)-9-benzoxy-8-(tert-butoxycarbonylamino)-6,9-diketo-pelargonic acid Formula: C21H29NO7 MolecularWeight: 407.45746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO7/c1-21(2,3)29-20(27)22-17(13-16(23)11-7-8-12-18(24)25)19(26)28-14-15-9-5-4-6-10-15/h4-6,9-10,17H,7-8,11-14H2,1-3H3,(H,22,27)(H,24,25)/t17-/m0/s1