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

Systemtic Name: 2-(2-hydroxyethyl)-7-methyl-5-[2-[2-(naphthalen-1-ylamino)propanoylamino]hexanoylamino]-4-oxidanyl-octanoic acid Openeye Name: 4-hydroxy-2-(2-hydroxyethyl)-7-methyl-5-[2-[2-(1-naphthylamino)propanoylamino]hexanoylamino]octanoic acid CAS Name: 4-hydroxy-2-(2-hydroxyethyl)-7-methyl-5-[[2-[[2-(1-naphthalenylamino)-1-oxopropyl]amino]-1-oxohexyl]amino]octanoic acid IUPAC Name: 4-hydroxy-2-(2-hydroxyethyl)-7-methyl-5-[2-[2-(naphthalen-1-ylamino)propanoylamino]hexanoylamino]octanoic acid Traditional Name: 4-hydroxy-2-(2-hydroxyethyl)-7-methyl-5-[2-[2-(1-naphthylamino)propanoylamino]hexanoylamino]caprylic acid Formula: C30H45N3O6 MolecularWeight: 543.6948

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H45N3O6/c1-5-6-13-25(29(37)33-26(17-19(2)3)27(35)18-22(15-16-34)30(38)39)32-28(36)20(4)31-24-14-9-11-21-10-7-8-12-23(21)24/h7-12,14,19-20,22,25-27,31,34-35H,5-6,13,15-18H2,1-4H3,(H,32,36)(H,33,37)(H,38,39)