(7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-8-phenylazanyl-octanoic acid

Systemtic Name: (7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-8-phenylazanyl-octanoic acid Openeye Name: (7S)-8-anilino-7-(tert-butoxycarbonylamino)-8-oxo-octanoic acid CAS Name: (7S)-8-anilino-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxooctanoic acid IUPAC Name: (7S)-8-anilino-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoic acid Traditional Name: (7S)-8-anilino-7-(tert-butoxycarbonylamino)-8-keto-caprylic acid Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCCC(=O)O)C(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCCC(=O)O)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C19H28N2O5/c1-19(2,3)26-18(25)21-15(12-8-5-9-13-16(22)23)17(24)20-14-10-6-4-7-11-14/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1