(Z)-7-methyl-5-[2-[naphthalen-1-yl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]-2-[2-(oxan-2-yloxy)ethyl]-4-oxidanyl-oct-2-enoic acid

Systemtic Name: (Z)-7-methyl-5-[2-[naphthalen-1-yl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]-2-[2-(oxan-2-yloxy)ethyl]-4-oxidanyl-oct-2-enoic acid Openeye Name: (Z)-5-[2-[2-(benzyloxycarbonylamino)propanoyl-(1-naphthyl)amino]hexanoylamino]-4-hydroxy-7-methyl-2-(2-tetrahydropyran-2-yloxyethyl)oct-2-enoic acid CAS Name: (Z)-4-hydroxy-7-methyl-5-[[2-[1-naphthalenyl-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-oxohexyl]amino]-2-[2-(2-oxanyloxy)ethyl]-2-octenoic acid IUPAC Name: (Z)-4-hydroxy-7-methyl-5-[2-[naphthalen-1-yl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]-2-[2-(oxan-2-yloxy)ethyl]oct-2-enoic acid Traditional Name: (Z)-5-[2-[2-(benzyloxycarbonylamino)propanoyl-(1-naphthyl)amino]hexanoylamino]-4-hydroxy-7-methyl-2-(2-tetrahydropyran-2-yloxyethyl)oct-2-enoic acid Formula: C43H57N3O9 MolecularWeight: 759.92738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(C)C)C(C=C(CCOC1CCCCO1)C(=O)O)O)N(C2=CC=CC3=CC=CC=C32)C(=O)C(C)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC(C(=O)NC(CC(C)C)C(/C=C(/CCOC1CCCCO1)\C(=O)O)O)N(C2=CC=CC3=CC=CC=C32)C(=O)C(C)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C43H57N3O9/c1-5-6-20-37(40(48)45-35(26-29(2)3)38(47)27-33(42(50)51)23-25-54-39-22-12-13-24-53-39)46(36-21-14-18-32-17-10-11-19-34(32)36)41(49)30(4)44-43(52)55-28-31-15-8-7-9-16-31/h7-11,14-19,21,27,29-30,35,37-39,47H,5-6,12-13,20,22-26,28H2,1-4H3,(H,44,52)(H,45,48)(H,50,51)/b33-27-