5-[(4-methoxyphenyl)carbonylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid

Systemtic Name: 5-[(4-methoxyphenyl)carbonylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid Openeye Name: 5-[(4-methoxybenzoyl)amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid CAS Name: 6-(1,16-dioxohexadecylamino)-5-[[(4-methoxyphenyl)-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 5-[(4-methoxybenzoyl)amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(p-anisoylamino)hexanoic acid Formula: C30H46N2O7 MolecularWeight: 546.69544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C30H46N2O7/c1-39-25-21-19-24(20-22-25)29(37)31-26(16-15-18-28(35)36)30(38)32-27(34)17-13-11-9-7-5-3-2-4-6-8-10-12-14-23-33/h19-23,26H,2-18H2,1H3,(H,31,37)(H,35,36)(H,32,34,38)