3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxo-pentanoic acid CAS Name: 3-[[3-(4-hydroxyphenyl)-1-oxo-2-(1-oxopentadecylamino)propyl]amino]-4-oxopentanoic acid IUPAC Name: 3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid Traditional Name: 3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-keto-valeric acid Formula: C29H46N2O6 MolecularWeight: 518.68534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)O)C(=O)C

InChI

InChI=1S/C29H46N2O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-27(34)30-26(20-23-16-18-24(33)19-17-23)29(37)31-25(22(2)32)21-28(35)36/h16-19,25-26,33H,3-15,20-21H2,1-2H3,(H,30,34)(H,31,37)(H,35,36)