7-methyl-2-[2-[2-(methylamino)propanoyl-naphthalen-1-yl-amino]hexanoylamino]-4-oxidanyl-2-(2-oxidanylpropyl)octanoic acid

Systemtic Name: 7-methyl-2-[2-[2-(methylamino)propanoyl-naphthalen-1-yl-amino]hexanoylamino]-4-oxidanyl-2-(2-oxidanylpropyl)octanoic acid Openeye Name: 4-hydroxy-2-(2-hydroxypropyl)-7-methyl-2-[2-[2-(methylamino)propanoyl-(1-naphthyl)amino]hexanoylamino]octanoic acid CAS Name: 4-hydroxy-2-(2-hydroxypropyl)-7-methyl-2-[[2-[[2-(methylamino)-1-oxopropyl]-(1-naphthalenyl)amino]-1-oxohexyl]amino]octanoic acid IUPAC Name: 4-hydroxy-2-(2-hydroxypropyl)-7-methyl-2-[2-[2-(methylamino)propanoyl-naphthalen-1-ylamino]hexanoylamino]octanoic acid Traditional Name: 4-hydroxy-2-(2-hydroxypropyl)-7-methyl-2-[2-[2-(methylamino)propanoyl-(1-naphthyl)amino]hexanoylamino]caprylic acid Formula: C32H49N3O6 MolecularWeight: 571.74796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(C)O)(CC(CCC(C)C)O)C(=O)O)N(C1=CC=CC2=CC=CC=C21)C(=O)C(C)NC

Isomeric SMILES

CCCCC(C(=O)NC(CC(C)O)(CC(CCC(C)C)O)C(=O)O)N(C1=CC=CC2=CC=CC=C21)C(=O)C(C)NC

InChI

InChI=1S/C32H49N3O6/c1-7-8-15-28(29(38)34-32(31(40)41,19-22(4)36)20-25(37)18-17-21(2)3)35(30(39)23(5)33-6)27-16-11-13-24-12-9-10-14-26(24)27/h9-14,16,21-23,25,28,33,36-37H,7-8,15,17-20H2,1-6H3,(H,34,38)(H,40,41)