8-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]octanoic acid

Systemtic Name: 8-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]octanoic acid Openeye Name: 8-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]octanoic acid CAS Name: 8-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]octanoic acid IUPAC Name: 8-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]octanoic acid Traditional Name: 8-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]caprylic acid Formula: C22H34N2O5 MolecularWeight: 406.51576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C22H34N2O5/c1-22(2,3)29-21(28)24-18(16-17-12-8-7-9-13-17)20(27)23-15-11-6-4-5-10-14-19(25)26/h7-9,12-13,18H,4-6,10-11,14-16H2,1-3H3,(H,23,27)(H,24,28)(H,25,26)/t18-/m0/s1