7-methyl-5-[2-[2-[naphthalen-1-yl(phenylmethoxycarbonyl)amino]propanoylamino]hexanoylamino]-4-oxidanyl-2-propan-2-yl-octanoic acid

Systemtic Name: 7-methyl-5-[2-[2-[naphthalen-1-yl(phenylmethoxycarbonyl)amino]propanoylamino]hexanoylamino]-4-oxidanyl-2-propan-2-yl-octanoic acid Openeye Name: 5-[2-[2-[benzyloxycarbonyl(1-naphthyl)amino]propanoylamino]hexanoylamino]-4-hydroxy-2-isopropyl-7-methyl-octanoic acid CAS Name: 4-hydroxy-7-methyl-5-[[2-[[2-[1-naphthalenyl(phenylmethoxycarbonyl)amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-2-propan-2-yloctanoic acid IUPAC Name: 4-hydroxy-7-methyl-5-[2-[2-[naphthalen-1-yl(phenylmethoxycarbonyl)amino]propanoylamino]hexanoylamino]-2-propan-2-yloctanoic acid Traditional Name: 5-[2-[2-[carbobenzoxy(1-naphthyl)amino]propanoylamino]hexanoylamino]-4-hydroxy-2-isopropyl-7-methyl-caprylic acid Formula: C39H53N3O7 MolecularWeight: 675.85402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(C)C)C(CC(C(C)C)C(=O)O)O)NC(=O)C(C)N(C1=CC=CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)NC(CC(C)C)C(CC(C(C)C)C(=O)O)O)NC(=O)C(C)N(C1=CC=CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C39H53N3O7/c1-7-8-20-32(37(45)41-33(22-25(2)3)35(43)23-31(26(4)5)38(46)47)40-36(44)27(6)42(39(48)49-24-28-15-10-9-11-16-28)34-21-14-18-29-17-12-13-19-30(29)34/h9-19,21,25-27,31-33,35,43H,7-8,20,22-24H2,1-6H3,(H,40,44)(H,41,45)(H,46,47)