methyl 8-[(2-azanyl-3-phenyl-propanoyl)amino]octanoate

Systemtic Name: methyl 8-[(2-azanyl-3-phenyl-propanoyl)amino]octanoate Openeye Name: methyl 8-[(2-amino-3-phenyl-propanoyl)amino]octanoate CAS Name: 8-[(2-amino-1-oxo-3-phenylpropyl)amino]octanoic acid methyl ester IUPAC Name: methyl 8-[(2-amino-3-phenylpropanoyl)amino]octanoate Traditional Name: 8-(phenylalanylamino)caprylic acid methyl ester Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCNC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

COC(=O)CCCCCCCNC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C18H28N2O3/c1-23-17(21)12-8-3-2-4-9-13-20-18(22)16(19)14-15-10-6-5-7-11-15/h5-7,10-11,16H,2-4,8-9,12-14,19H2,1H3,(H,20,22)