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

Systemtic Name: (2S,7S)-7-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-8-phenoxy-octanoic acid Openeye Name: (2S,7S)-7-amino-2-(tert-butoxycarbonylamino)-8-oxo-8-phenoxy-octanoic acid CAS Name: (2S,7S)-7-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-8-phenoxyoctanoic acid IUPAC Name: (2S,7S)-7-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-8-phenoxyoctanoic acid Traditional Name: (2S,7S)-7-amino-2-(tert-butoxycarbonylamino)-8-keto-8-phenoxy-caprylic acid Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCC(C(=O)OC1=CC=CC=C1)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCC[C@@H](C(=O)OC1=CC=CC=C1)N)C(=O)O

InChI

InChI=1S/C19H28N2O6/c1-19(2,3)27-18(25)21-15(16(22)23)12-8-7-11-14(20)17(24)26-13-9-5-4-6-10-13/h4-6,9-10,14-15H,7-8,11-12,20H2,1-3H3,(H,21,25)(H,22,23)/t14-,15-/m0/s1