2-[[6-azanyl-2-[3-(dodecanoylamino)propanoylamino]hexanoyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[6-azanyl-2-[3-(dodecanoylamino)propanoylamino]hexanoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[6-amino-2-[3-(dodecanoylamino)propanoylamino]hexanoyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[6-amino-1-oxo-2-[[1-oxo-3-(1-oxododecylamino)propyl]amino]hexyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[6-amino-2-[3-(dodecanoylamino)propanoylamino]hexanoyl]amino]-2-phenylacetic acid Traditional Name: 2-[[6-amino-2-[3-(lauroylamino)propanoylamino]hexanoyl]amino]-2-phenyl-acetic acid Formula: C29H48N4O5 MolecularWeight: 532.71522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCC(=O)NC(CCCCN)C(=O)NC(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCC(=O)NC(CCCCN)C(=O)NC(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C29H48N4O5/c1-2-3-4-5-6-7-8-9-13-19-25(34)31-22-20-26(35)32-24(18-14-15-21-30)28(36)33-27(29(37)38)23-16-11-10-12-17-23/h10-12,16-17,24,27H,2-9,13-15,18-22,30H2,1H3,(H,31,34)(H,32,35)(H,33,36)(H,37,38)