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

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

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)N

InChI

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