7-methyl-5-[2-[2-(naphthalen-1-ylamino)propanoylamino]hexanoylamino]-4-oxidanyl-2-(2-oxidanylpropyl)octanoic acid

Systemtic Name: 7-methyl-5-[2-[2-(naphthalen-1-ylamino)propanoylamino]hexanoylamino]-4-oxidanyl-2-(2-oxidanylpropyl)octanoic acid Openeye Name: 4-hydroxy-2-(2-hydroxypropyl)-7-methyl-5-[2-[2-(1-naphthylamino)propanoylamino]hexanoylamino]octanoic acid CAS Name: 4-hydroxy-2-(2-hydroxypropyl)-7-methyl-5-[[2-[[2-(1-naphthalenylamino)-1-oxopropyl]amino]-1-oxohexyl]amino]octanoic acid IUPAC Name: 4-hydroxy-2-(2-hydroxypropyl)-7-methyl-5-[2-[2-(naphthalen-1-ylamino)propanoylamino]hexanoylamino]octanoic acid Traditional Name: 4-hydroxy-2-(2-hydroxypropyl)-7-methyl-5-[2-[2-(1-naphthylamino)propanoylamino]hexanoylamino]caprylic acid Formula: C31H47N3O6 MolecularWeight: 557.72138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(C)C)C(CC(CC(C)O)C(=O)O)O)NC(=O)C(C)NC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCCCC(C(=O)NC(CC(C)C)C(CC(CC(C)O)C(=O)O)O)NC(=O)C(C)NC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C31H47N3O6/c1-6-7-14-26(33-29(37)21(5)32-25-15-10-12-22-11-8-9-13-24(22)25)30(38)34-27(16-19(2)3)28(36)18-23(31(39)40)17-20(4)35/h8-13,15,19-21,23,26-28,32,35-36H,6-7,14,16-18H2,1-5H3,(H,33,37)(H,34,38)(H,39,40)