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

Systemtic Name: 7-methyl-2-[2-[naphthalen-1-yl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]-4-oxidanyl-2-propan-2-yl-octanoic acid Openeye Name: 2-[2-[2-(benzyloxycarbonylamino)propanoyl-(1-naphthyl)amino]hexanoylamino]-4-hydroxy-2-isopropyl-7-methyl-octanoic acid CAS Name: 4-hydroxy-7-methyl-2-[[2-[1-naphthalenyl-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-oxohexyl]amino]-2-propan-2-yloctanoic acid IUPAC Name: 4-hydroxy-7-methyl-2-[2-[naphthalen-1-yl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]-2-propan-2-yloctanoic acid Traditional Name: 2-[2-[2-(benzyloxycarbonylamino)propanoyl-(1-naphthyl)amino]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(CCC(C)C)O)(C(C)C)C(=O)O)N(C1=CC=CC2=CC=CC=C21)C(=O)C(C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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