5-[2-[2-azanylpropanoyl(naphthalen-1-yl)amino]hexanoylamino]-2-(2-hydroxyethyl)-7-methyl-4-oxidanyl-octanoic acid

Systemtic Name: 5-[2-[2-azanylpropanoyl(naphthalen-1-yl)amino]hexanoylamino]-2-(2-hydroxyethyl)-7-methyl-4-oxidanyl-octanoic acid Openeye Name: 5-[2-[2-aminopropanoyl(1-naphthyl)amino]hexanoylamino]-4-hydroxy-2-(2-hydroxyethyl)-7-methyl-octanoic acid CAS Name: 5-[[2-[(2-amino-1-oxopropyl)-(1-naphthalenyl)amino]-1-oxohexyl]amino]-4-hydroxy-2-(2-hydroxyethyl)-7-methyloctanoic acid IUPAC Name: 5-[2-[2-aminopropanoyl(naphthalen-1-yl)amino]hexanoylamino]-4-hydroxy-2-(2-hydroxyethyl)-7-methyloctanoic acid Traditional Name: 5-[2-[alanyl(1-naphthyl)amino]hexanoylamino]-4-hydroxy-2-(2-hydroxyethyl)-7-methyl-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)N(C1=CC=CC2=CC=CC=C21)C(=O)C(C)N

Isomeric SMILES

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

InChI

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