5-[2-[2-azanylpropanoyl(naphthalen-1-yl)amino]hexanoylamino]-7-methyl-4-oxidanyl-2-(3-oxidanylpropyl)octanoic acid

Systemtic Name: 5-[2-[2-azanylpropanoyl(naphthalen-1-yl)amino]hexanoylamino]-7-methyl-4-oxidanyl-2-(3-oxidanylpropyl)octanoic acid Openeye Name: 5-[2-[2-aminopropanoyl(1-naphthyl)amino]hexanoylamino]-4-hydroxy-2-(3-hydroxypropyl)-7-methyl-octanoic acid CAS Name: 5-[[2-[(2-amino-1-oxopropyl)-(1-naphthalenyl)amino]-1-oxohexyl]amino]-4-hydroxy-2-(3-hydroxypropyl)-7-methyloctanoic acid IUPAC Name: 5-[2-[2-aminopropanoyl(naphthalen-1-yl)amino]hexanoylamino]-4-hydroxy-2-(3-hydroxypropyl)-7-methyloctanoic acid Traditional Name: 5-[2-[alanyl(1-naphthyl)amino]hexanoylamino]-4-hydroxy-2-(3-hydroxypropyl)-7-methyl-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(CCCO)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(CCCO)C(=O)O)O)N(C1=CC=CC2=CC=CC=C21)C(=O)C(C)N

InChI

InChI=1S/C31H47N3O6/c1-5-6-15-27(34(30(38)21(4)32)26-16-9-12-22-11-7-8-14-24(22)26)29(37)33-25(18-20(2)3)28(36)19-23(31(39)40)13-10-17-35/h7-9,11-12,14,16,20-21,23,25,27-28,35-36H,5-6,10,13,15,17-19,32H2,1-4H3,(H,33,37)(H,39,40)