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

Systemtic Name: 8-azanyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]octanoic acid Openeye Name: 8-amino-2-[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]octanoic acid CAS Name: 8-amino-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]octanoic acid IUPAC Name: 8-amino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]octanoic acid Traditional Name: 8-amino-2-[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]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)C(CCCCCCN)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O5/c1-22(2,3)29-21(28)24-18(15-16-11-7-6-8-12-16)19(25)17(20(26)27)13-9-4-5-10-14-23/h6-8,11-12,17-18H,4-5,9-10,13-15,23H2,1-3H3,(H,24,28)(H,26,27)